(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C19H21N5O2 — CID 129479402

IUPAC(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3cc(C#N)ccc3C)c2C1
InChIInChI=1S/C19H21N5O2/c1-12-3-4-14(9-20)7-17(12)23-19(26)16-11-22-24-6-5-15(8-18(16)24)10-21-13(2)25/h3-4,7,11,15H,5-6,8,10H2,1-2H3,(H,21,25)(H,23,26)/t15-/m0/s1
InChIKeyPNKVUVMYSQIPDL-HNNXBMFYSA-N
MW351.41 g/mol
LogP2.01
Rot. Bonds4

About (5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 129479402) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID129479402
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3cc(C#N)ccc3C)c2C1
InChIInChI=1S/C19H21N5O2/c1-12-3-4-14(9-20)7-17(12)23-19(26)16-11-22-24-6-5-15(8-18(16)24)10-21-13(2)25/h3-4,7,11,15H,5-6,8,10H2,1-2H3,(H,21,25)(H,23,26)/t15-/m0/s1
InChIKeyPNKVUVMYSQIPDL-HNNXBMFYSA-N
XLogP2.01
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
(5S)-5-[[(4-cyanobenzoyl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129325025
5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128973814
5-(acetamidomethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166235767
N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 146131887
5-(acetamidomethyl)-N-[3-(2,2,2-trifluoroethoxymethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 167855760
(5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129324855
5-(acetamidomethyl)-N-[(5-methyl-1,3-benzothiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166250152
N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128991086
5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128991628
5-(acetamidomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166225358
tert-butyl N-[[3-[[4-chloro-2-(methoxymethyl)phenyl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate
CID 167811862

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of (5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 129479402) is (5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for (5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for (5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3cc(C#N)ccc3C)c2C1.
What is the InChIKey of (5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is PNKVUVMYSQIPDL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-3-4-14(9-20)7-17(12)23-19(26)16-11-22-24-6-5-15(8-18(16)24)10-21-13(2)25/h3-4,7,11,15H,5-6,8,10H2,1-2H3,(H,21,25)(H,23,26)/t15-/m0/s1.
What are the key properties of (5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 129479402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).