5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C76H102N24O8 — CID 159361545

IUPAC5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNC[C@@H]2CC[C@H](c3cc(N)n4ncc(-c5cnn(C)c5)c4n3)CN2)c(OC)c1.COc1ccc(CNC[C@@H]2CC[C@H](c3cc(NC(=O)OC(C)(C)C)n4ncc(-c5cnn(C)c5)c4n3)CN2C(=O)OC(C)(C)C)c(OC)c1.Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](CN)NC4)nc23)cn1
InChIInChI=1S/C35H48N8O6.C25H32N8O2.C16H22N8/c1-34(2,3)48-32(44)40-30-15-28(39-31-27(19-38-43(30)31)24-17-37-41(7)20-24)23-10-12-25(42(21-23)33(45)49-35(4,5)6)18-36-16-22-11-13-26(46-8)14-29(22)47-9;1-32-15-18(12-29-32)21-14-30-33-24(26)9-22(31-25(21)33)16-4-6-19(28-11-16)13-27-10-17-5-7-20(34-2)8-23(17)35-3;1-23-9-11(7-20-23)13-8-21-24-15(18)4-14(22-16(13)24)10-2-3-12(5-17)19-6-10/h11,13-15,17,19-20,23,25,36H,10,12,16,18,21H2,1-9H3,(H,40,44);5,7-9,12,14-16,19,27-28H,4,6,10-11,13,26H2,1-3H3;4,7-10,12,19H,2-3,5-6,17-18H2,1H3/t23-,25-;16-,19-;10-,12-/m000/s1
InChIKeyLIPKGYCQZQOTOE-LZHWOODHSA-N
MW1479.81 g/mol
LogP8.63
Rot. Bonds20

About 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159361545) has the molecular formula C76H102N24O8 and a molecular weight of 1479.81 g/mol. Its IUPAC name is 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159361545
Molecular FormulaC76H102N24O8
Molecular Weight1479.81 g/mol
Exact Mass1478.83
IUPAC Name5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNC[C@@H]2CC[C@H](c3cc(N)n4ncc(-c5cnn(C)c5)c4n3)CN2)c(OC)c1.COc1ccc(CNC[C@@H]2CC[C@H](c3cc(NC(=O)OC(C)(C)C)n4ncc(-c5cnn(C)c5)c4n3)CN2C(=O)OC(C)(C)C)c(OC)c1.Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](CN)NC4)nc23)cn1
InChIInChI=1S/C35H48N8O6.C25H32N8O2.C16H22N8/c1-34(2,3)48-32(44)40-30-15-28(39-31-27(19-38-43(30)31)24-17-37-41(7)20-24)23-10-12-25(42(21-23)33(45)49-35(4,5)6)18-36-16-22-11-13-26(46-8)14-29(22)47-9;1-32-15-18(12-29-32)21-14-30-33-24(26)9-22(31-25(21)33)16-4-6-19(28-11-16)13-27-10-17-5-7-20(34-2)8-23(17)35-3;1-23-9-11(7-20-23)13-8-21-24-15(18)4-14(22-16(13)24)10-2-3-12(5-17)19-6-10/h11,13-15,17,19-20,23,25,36H,10,12,16,18,21H2,1-9H3,(H,40,44);5,7-9,12,14-16,19,27-28H,4,6,10-11,13,26H2,1-3H3;4,7-10,12,19H,2-3,5-6,17-18H2,1H3/t23-,25-;16-,19-;10-,12-/m000/s1
InChIKeyLIPKGYCQZQOTOE-LZHWOODHSA-N
XLogP8.63
TPSA375.00 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001479.81
LogP ≤ 58.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

9-(2,4-Dimethoxybenzyl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,9-dihydro-8H-purin-8-one
CID 66635085
7-[(2,4-dimethoxyphenyl)methyl]-5-methyl-4-[4-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-pyrrolidin-1-ylethylamino)pyridin-3-yl]piperidin-1-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 138487966
N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(1-ethylpyrazol-4-yl)-6-methylpiperidin-3-yl]-7-(3-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 153593550
N-[(2,4-dimethoxyphenyl)methyl]-2-[(3R,6S)-1-(1-ethylpyrazol-4-yl)-6-methylpiperidin-3-yl]-7-(3-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 153593600
5-[2-Methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
CID 157823492
N-[(2,4-dimethoxyphenyl)methyl]-2-[(3S,6R)-1-(1-ethylpyrazol-4-yl)-6-methylpiperidin-3-yl]-7-(3-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 162502955
[1-[4-[[4-[Bis[(2,4-dimethoxyphenyl)methyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-6-(3,4-difluorophenyl)-3-pyridinyl]-3-pyridin-2-ylpiperidin-3-yl] carbamate
CID 176288709
methyl N-[1-[4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-6-(3,4-difluorophenyl)-3-pyridinyl]-3-pyridin-2-ylpiperidin-3-yl]carbamate
CID 176553447
5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821403
tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57891172
tert-butyl (2S,5S)-2-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 58853456
5-[(6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58853458

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159361545) is 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CNC[C@@H]2CC[C@H](c3cc(N)n4ncc(-c5cnn(C)c5)c4n3)CN2)c(OC)c1.COc1ccc(CNC[C@@H]2CC[C@H](c3cc(NC(=O)OC(C)(C)C)n4ncc(-c5cnn(C)c5)c4n3)CN2C(=O)OC(C)(C)C)c(OC)c1.Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](CN)NC4)nc23)cn1.
What is the InChIKey of 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LIPKGYCQZQOTOE-LZHWOODHSA-N. The full InChI is InChI=1S/C35H48N8O6.C25H32N8O2.C16H22N8/c1-34(2,3)48-32(44)40-30-15-28(39-31-27(19-38-43(30)31)24-17-37-41(7)20-24)23-10-12-25(42(21-23)33(45)49-35(4,5)6)18-36-16-22-11-13-26(46-8)14-29(22)47-9;1-32-15-18(12-29-32)21-14-30-33-24(26)9-22(31-25(21)33)16-4-6-19(28-11-16)13-27-10-17-5-7-20(34-2)8-23(17)35-3;1-23-9-11(7-20-23)13-8-21-24-15(18)4-14(22-16(13)24)10-2-3-12(5-17)19-6-10/h11,13-15,17,19-20,23,25,36H,10,12,16,18,21H2,1-9H3,(H,40,44);5,7-9,12,14-16,19,27-28H,4,6,10-11,13,26H2,1-3H3;4,7-10,12,19H,2-3,5-6,17-18H2,1H3/t23-,25-;16-,19-;10-,12-/m000/s1.
What are the key properties of 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1479.81 g/mol, XLogP of 8.63, 20 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,6S)-6-(aminomethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;5-[(3S,6S)-6-[[(2,4-dimethoxyphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159361545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).