2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

C34H29F5N4O4 — CID 169264890

IUPAC2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2cccc(F)c2)c2cc(C(C)(C)O)c(F)c(-c3cc(F)c(F)cc3F)n2)cc2cc(C3CC3)nn12
InChIInChI=1S/C34H29F5N4O4/c1-33(2,45)23-14-28(41-31(30(23)39)22-13-25(37)26(38)15-24(22)36)34(46,19-5-4-6-20(35)11-19)16-40-32(44)18-9-21-12-27(17-7-8-17)42-43(21)29(10-18)47-3/h4-6,9-15,17,45-46H,7-8,16H2,1-3H3,(H,40,44)/t34-/m1/s1
InChIKeyYOXWYMGPHYXITP-UUWRZZSWSA-N
MW652.62 g/mol
LogP5.87
Rot. Bonds9

About 2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 169264890) has the molecular formula C34H29F5N4O4 and a molecular weight of 652.62 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID169264890
Molecular FormulaC34H29F5N4O4
Molecular Weight652.62 g/mol
Exact Mass652.21
IUPAC Name2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2cccc(F)c2)c2cc(C(C)(C)O)c(F)c(-c3cc(F)c(F)cc3F)n2)cc2cc(C3CC3)nn12
InChIInChI=1S/C34H29F5N4O4/c1-33(2,45)23-14-28(41-31(30(23)39)22-13-25(37)26(38)15-24(22)36)34(46,19-5-4-6-20(35)11-19)16-40-32(44)18-9-21-12-27(17-7-8-17)42-43(21)29(10-18)47-3/h4-6,9-15,17,45-46H,7-8,16H2,1-3H3,(H,40,44)/t34-/m1/s1
InChIKeyYOXWYMGPHYXITP-UUWRZZSWSA-N
XLogP5.87
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.62
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-carbonyl)amino]-1-(2-fluorophenyl)-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406799
2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
CID 169264708
7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide
CID 170381072
N-[(2S)-2-[4-carbamoyl-6-(4-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-5-ethoxy-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
CID 170407460
N-[(2S)-2-[6-(5-chloro-2,4-difluorophenyl)-5-fluoro-4-(2-fluoropropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
CID 170378276
N-[(2S)-2-[6-(3-chloro-2,4-difluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
CID 170381226
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
CID 170408044
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-(5-chloro-2,4-difluorophenyl)-5-ethoxy-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxypyrazolo[1,5-a]pyridine-5-carboxamide
CID 170405743
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide
CID 170408091
N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(3-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxy-3-methylcinnoline-6-carboxamide
CID 156896204
7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]indazole-5-carboxamide
CID 170380799
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406709

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (CID 169264890) is 2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is COc1cc(C(=O)NC[C@@](O)(c2cccc(F)c2)c2cc(C(C)(C)O)c(F)c(-c3cc(F)c(F)cc3F)n2)cc2cc(C3CC3)nn12.
What is the InChIKey of 2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is YOXWYMGPHYXITP-UUWRZZSWSA-N. The full InChI is InChI=1S/C34H29F5N4O4/c1-33(2,45)23-14-28(41-31(30(23)39)22-13-25(37)26(38)15-24(22)36)34(46,19-5-4-6-20(35)11-19)16-40-32(44)18-9-21-12-27(17-7-8-17)42-43(21)29(10-18)47-3/h4-6,9-15,17,45-46H,7-8,16H2,1-3H3,(H,40,44)/t34-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 652.62 g/mol, XLogP of 5.87, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2S)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 169264890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).