N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C97H113F6N19O18S4 — CID 160888417

IUPACN-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OC4CCOCC4)c3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc4c3OCCO4)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OC4CCOCC4)c3)cc12
InChIInChI=1S/C27H32F2N4O5S.C26H31F2N5O5S.C23H26FN5O5S.C21H24FN5O3S/c1-27(2,3)39(35,36)31-26(34)23-15-30-33-7-4-20(14-25(23)33)32-16-19(29)13-24(32)17-10-18(28)12-22(11-17)38-21-5-8-37-9-6-21;1-3-31(2)39(35,36)30-26(34)23-15-29-33-7-4-20(14-25(23)33)32-16-19(28)13-24(32)17-10-18(27)12-22(11-17)38-21-5-8-37-9-6-21;1-3-27(2)35(31,32)26-23(30)18-14-25-29-8-6-16(13-20(18)29)28-7-4-5-19(28)17-11-15(24)12-21-22(17)34-10-9-33-21;1-3-25(2)31(29,30)24-21(28)18-14-23-27-11-9-17(13-20(18)27)26-10-5-8-19(26)15-6-4-7-16(22)12-15/h4,7,10-12,14-15,19,21,24H,5-6,8-9,13,16H2,1-3H3,(H,31,34);4,7,10-12,14-15,19,21,24H,3,5-6,8-9,13,16H2,1-2H3,(H,30,34);6,8,11-14,19H,3-5,7,9-10H2,1-2H3,(H,26,30);4,6-7,9,11-14,19H,3,5,8,10H2,1-2H3,(H,24,28)/t2*19-,24+;2*19-/m0011/s1
InChIKeySNYDVXUKIZZCEO-CNRQVYMBSA-N
MW2075.34 g/mol
LogP12.68
Rot. Bonds26

About N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 160888417) has the molecular formula C97H113F6N19O18S4 and a molecular weight of 2075.34 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID160888417
Molecular FormulaC97H113F6N19O18S4
Molecular Weight2075.34 g/mol
Exact Mass2073.73
IUPAC NameN-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OC4CCOCC4)c3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc4c3OCCO4)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OC4CCOCC4)c3)cc12
InChIInChI=1S/C27H32F2N4O5S.C26H31F2N5O5S.C23H26FN5O5S.C21H24FN5O3S/c1-27(2,3)39(35,36)31-26(34)23-15-30-33-7-4-20(14-25(23)33)32-16-19(29)13-24(32)17-10-18(28)12-22(11-17)38-21-5-8-37-9-6-21;1-3-31(2)39(35,36)30-26(34)23-15-29-33-7-4-20(14-25(23)33)32-16-19(28)13-24(32)17-10-18(27)12-22(11-17)38-21-5-8-37-9-6-21;1-3-27(2)35(31,32)26-23(30)18-14-25-29-8-6-16(13-20(18)29)28-7-4-5-19(28)17-11-15(24)12-21-22(17)34-10-9-33-21;1-3-25(2)31(29,30)24-21(28)18-14-23-27-11-9-17(13-20(18)27)26-10-5-8-19(26)15-6-4-7-16(22)12-15/h4,7,10-12,14-15,19,21,24H,5-6,8-9,13,16H2,1-3H3,(H,31,34);4,7,10-12,14-15,19,21,24H,3,5-6,8-9,13,16H2,1-2H3,(H,30,34);6,8,11-14,19H,3-5,7,9-10H2,1-2H3,(H,26,30);4,6-7,9,11-14,19H,3,5,8,10H2,1-2H3,(H,24,28)/t2*19-,24+;2*19-/m0011/s1
InChIKeySNYDVXUKIZZCEO-CNRQVYMBSA-N
XLogP12.68
TPSA400.22 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.34
LogP ≤ 512.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 160888417) is N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OC4CCOCC4)c3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc4c3OCCO4)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)cc12.CCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OC4CCOCC4)c3)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SNYDVXUKIZZCEO-CNRQVYMBSA-N. The full InChI is InChI=1S/C27H32F2N4O5S.C26H31F2N5O5S.C23H26FN5O5S.C21H24FN5O3S/c1-27(2,3)39(35,36)31-26(34)23-15-30-33-7-4-20(14-25(23)33)32-16-19(29)13-24(32)17-10-18(28)12-22(11-17)38-21-5-8-37-9-6-21;1-3-31(2)39(35,36)30-26(34)23-15-29-33-7-4-20(14-25(23)33)32-16-19(28)13-24(32)17-10-18(27)12-22(11-17)38-21-5-8-37-9-6-21;1-3-27(2)35(31,32)26-23(30)18-14-25-29-8-6-16(13-20(18)29)28-7-4-5-19(28)17-11-15(24)12-21-22(17)34-10-9-33-21;1-3-25(2)31(29,30)24-21(28)18-14-23-27-11-9-17(13-20(18)27)26-10-5-8-19(26)15-6-4-7-16(22)12-15/h4,7,10-12,14-15,19,21,24H,5-6,8-9,13,16H2,1-3H3,(H,31,34);4,7,10-12,14-15,19,21,24H,3,5-6,8-9,13,16H2,1-2H3,(H,30,34);6,8,11-14,19H,3-5,7,9-10H2,1-2H3,(H,26,30);4,6-7,9,11-14,19H,3,5,8,10H2,1-2H3,(H,24,28)/t2*19-,24+;2*19-/m0011/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 2075.34 g/mol, XLogP of 12.68, 26 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[ethyl(methyl)sulfamoyl]-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 160888417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).