(2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid

C32H33F2N5O3 — CID 118952367

IUPAC(2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid
SMILESC[C@@H]1CC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc23)(C(=O)O)CCN1Cc1ccccc1
InChIInChI=1S/C32H33F2N5O3/c1-21-18-32(31(41)42,12-15-37(21)20-22-6-3-2-4-7-22)36-30(40)26-19-35-39-14-11-24(17-29(26)39)38-13-5-8-28(38)25-16-23(33)9-10-27(25)34/h2-4,6-7,9-11,14,16-17,19,21,28H,5,8,12-13,15,18,20H2,1H3,(H,36,40)(H,41,42)/t21-,28?,32?/m1/s1
InChIKeyPZGNCOQEHZEPKM-GVYFSNLUSA-N
MW573.64 g/mol
LogP5.19
Rot. Bonds7

About (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid

(2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid (PubChem CID 118952367) has the molecular formula C32H33F2N5O3 and a molecular weight of 573.64 g/mol. Its IUPAC name is (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid
PubChem CID118952367
Molecular FormulaC32H33F2N5O3
Molecular Weight573.64 g/mol
Exact Mass573.26
IUPAC Name(2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid
SMILESC[C@@H]1CC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc23)(C(=O)O)CCN1Cc1ccccc1
InChIInChI=1S/C32H33F2N5O3/c1-21-18-32(31(41)42,12-15-37(21)20-22-6-3-2-4-7-22)36-30(40)26-19-35-39-14-11-24(17-29(26)39)38-13-5-8-28(38)25-16-23(33)9-10-27(25)34/h2-4,6-7,9-11,14,16-17,19,21,28H,5,8,12-13,15,18,20H2,1H3,(H,36,40)(H,41,42)/t21-,28?,32?/m1/s1
InChIKeyPZGNCOQEHZEPKM-GVYFSNLUSA-N
XLogP5.19
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.64
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid with MolForge

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Related Compounds

N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
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CID 71283371
4,6-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)pyridin-3-yl]methyl]indole-3-carboxamide
CID 134817226
4,6-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 145982741
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-(((5R,8r)-2-oxo-1-azaspiro[4.5] decan-8-yl)amino) nicotinamide
CID 138703471
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl)-4-((4-hydroxybicyclo[2.2.2] octan-1-yl)amino) nicotinamide
CID 138704658
2-phenyl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 165414998
N-(2,6-dimethyl-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165414961
N-(5-ethyl-2-methyl-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165414983
N-(2-methyl-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415007
N-(3-methyl-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415046
N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]pyridin-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 73672341

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid (CID 118952367) is (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid is C[C@@H]1CC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc23)(C(=O)O)CCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is PZGNCOQEHZEPKM-GVYFSNLUSA-N. The full InChI is InChI=1S/C32H33F2N5O3/c1-21-18-32(31(41)42,12-15-37(21)20-22-6-3-2-4-7-22)36-30(40)26-19-35-39-14-11-24(17-29(26)39)38-13-5-8-28(38)25-16-23(33)9-10-27(25)34/h2-4,6-7,9-11,14,16-17,19,21,28H,5,8,12-13,15,18,20H2,1H3,(H,36,40)(H,41,42)/t21-,28?,32?/m1/s1.
What are the key properties of (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid?
(2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 573.64 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 118952367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).