N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide

C169H180F12N46O8 — CID 159149789

IUPACN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCN(Cc2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cn2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)nc2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cc2)CC1.COc1cc(N2CCN(C)CC2)cnc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.COc1cc(N2CCN(C)CC2)ncc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C29H31F2N7O.2C28H30F2N8O2.2C28H30F2N8O.C28H29F2N7O/c1-35-13-15-36(16-14-35)19-20-4-6-21(7-5-20)29(39)33-25-18-32-38-12-10-27(34-28(25)38)37-11-2-3-26(37)23-17-22(30)8-9-24(23)31;1-35-10-12-36(13-11-35)19-15-24(40-2)26(31-16-19)28(39)33-22-17-32-38-9-7-25(34-27(22)38)37-8-3-4-23(37)20-14-18(29)5-6-21(20)30;1-35-10-12-36(13-11-35)26-15-24(40-2)20(16-31-26)28(39)33-22-17-32-38-9-7-25(34-27(22)38)37-8-3-4-23(37)19-14-18(29)5-6-21(19)30;1-35-11-13-36(14-12-35)18-19-4-7-23(31-16-19)28(39)33-24-17-32-38-10-8-26(34-27(24)38)37-9-2-3-25(37)21-15-20(29)5-6-22(21)30;1-35-11-13-36(14-12-35)18-21-6-4-19(16-31-21)28(39)33-24-17-32-38-10-8-26(34-27(24)38)37-9-2-3-25(37)22-15-20(29)5-7-23(22)30;1-34-13-15-35(16-14-34)21-7-4-19(5-8-21)28(38)32-24-18-31-37-12-10-26(33-27(24)37)36-11-2-3-25(36)22-17-20(29)6-9-23(22)30/h4-10,12,17-18,26H,2-3,11,13-16,19H2,1H3,(H,33,39);2*5-7,9,14-17,23H,3-4,8,10-13H2,1-2H3,(H,33,39);2*4-8,10,15-17,25H,2-3,9,11-14,18H2,1H3,(H,33,39);4-10,12,17-18,25H,2-3,11,13-16H2,1H3,(H,32,38)/t26-;2*23-;3*25-/m111111/s1
InChIKeyKJDAMYZKOYAJGZ-VOIJOVJRSA-N
MW3211.59 g/mol
LogP23.70
Rot. Bonds35

About N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide (PubChem CID 159149789) has the molecular formula C169H180F12N46O8 and a molecular weight of 3211.59 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide
PubChem CID159149789
Molecular FormulaC169H180F12N46O8
Molecular Weight3211.59 g/mol
Exact Mass3209.49
IUPAC NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCN(Cc2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cn2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)nc2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cc2)CC1.COc1cc(N2CCN(C)CC2)cnc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.COc1cc(N2CCN(C)CC2)ncc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C29H31F2N7O.2C28H30F2N8O2.2C28H30F2N8O.C28H29F2N7O/c1-35-13-15-36(16-14-35)19-20-4-6-21(7-5-20)29(39)33-25-18-32-38-12-10-27(34-28(25)38)37-11-2-3-26(37)23-17-22(30)8-9-24(23)31;1-35-10-12-36(13-11-35)19-15-24(40-2)26(31-16-19)28(39)33-22-17-32-38-9-7-25(34-27(22)38)37-8-3-4-23(37)20-14-18(29)5-6-21(20)30;1-35-10-12-36(13-11-35)26-15-24(40-2)20(16-31-26)28(39)33-22-17-32-38-9-7-25(34-27(22)38)37-8-3-4-23(37)19-14-18(29)5-6-21(19)30;1-35-11-13-36(14-12-35)18-19-4-7-23(31-16-19)28(39)33-24-17-32-38-10-8-26(34-27(24)38)37-9-2-3-25(37)21-15-20(29)5-6-22(21)30;1-35-11-13-36(14-12-35)18-21-6-4-19(16-31-21)28(39)33-24-17-32-38-10-8-26(34-27(24)38)37-9-2-3-25(37)22-15-20(29)5-7-23(22)30;1-34-13-15-35(16-14-34)21-7-4-19(5-8-21)28(38)32-24-18-31-37-12-10-26(33-27(24)37)36-11-2-3-25(36)22-17-20(29)6-9-23(22)30/h4-10,12,17-18,26H,2-3,11,13-16,19H2,1H3,(H,33,39);2*5-7,9,14-17,23H,3-4,8,10-13H2,1-2H3,(H,33,39);2*4-8,10,15-17,25H,2-3,9,11-14,18H2,1H3,(H,33,39);4-10,12,17-18,25H,2-3,11,13-16H2,1H3,(H,32,38)/t26-;2*23-;3*25-/m111111/s1
InChIKeyKJDAMYZKOYAJGZ-VOIJOVJRSA-N
XLogP23.70
TPSA484.08 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds35
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003211.59
LogP ≤ 523.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Analyze N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 137492623
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide
CID 137492926
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxy-4-(4-methylpiperazin-1-yl)benzamide
CID 137492625
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxy-4-(4-methylpiperazin-1-yl)benzamide
CID 137492619
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide
CID 158066106
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide
CID 137492639
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide
CID 137493349
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 45273880
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
CID 67330295
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
CID 67330537
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-3-carboxamide
CID 154027724
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166846272

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide (CID 159149789) is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide is CN1CCN(Cc2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cn2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)nc2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)cc2)CC1.COc1cc(N2CCN(C)CC2)cnc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.COc1cc(N2CCN(C)CC2)ncc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide?
The InChIKey is KJDAMYZKOYAJGZ-VOIJOVJRSA-N. The full InChI is InChI=1S/C29H31F2N7O.2C28H30F2N8O2.2C28H30F2N8O.C28H29F2N7O/c1-35-13-15-36(16-14-35)19-20-4-6-21(7-5-20)29(39)33-25-18-32-38-12-10-27(34-28(25)38)37-11-2-3-26(37)23-17-22(30)8-9-24(23)31;1-35-10-12-36(13-11-35)19-15-24(40-2)26(31-16-19)28(39)33-22-17-32-38-9-7-25(34-27(22)38)37-8-3-4-23(37)20-14-18(29)5-6-21(20)30;1-35-10-12-36(13-11-35)26-15-24(40-2)20(16-31-26)28(39)33-22-17-32-38-9-7-25(34-27(22)38)37-8-3-4-23(37)19-14-18(29)5-6-21(19)30;1-35-11-13-36(14-12-35)18-19-4-7-23(31-16-19)28(39)33-24-17-32-38-10-8-26(34-27(24)38)37-9-2-3-25(37)21-15-20(29)5-6-22(21)30;1-35-11-13-36(14-12-35)18-21-6-4-19(16-31-21)28(39)33-24-17-32-38-10-8-26(34-27(24)38)37-9-2-3-25(37)22-15-20(29)5-7-23(22)30;1-34-13-15-35(16-14-34)21-7-4-19(5-8-21)28(38)32-24-18-31-37-12-10-26(33-27(24)37)36-11-2-3-25(36)22-17-20(29)6-9-23(22)30/h4-10,12,17-18,26H,2-3,11,13-16,19H2,1H3,(H,33,39);2*5-7,9,14-17,23H,3-4,8,10-13H2,1-2H3,(H,33,39);2*4-8,10,15-17,25H,2-3,9,11-14,18H2,1H3,(H,33,39);4-10,12,17-18,25H,2-3,11,13-16H2,1H3,(H,32,38)/t26-;2*23-;3*25-/m111111/s1.
What are the key properties of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide?
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide has a molecular weight of 3211.59 g/mol, XLogP of 23.70, 35 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxy-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 159149789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).