(5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C18H25N5O2 — CID 129352651

IUPAC(5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)Cc1ccc[nH]1)CC2
InChIInChI=1S/C18H25N5O2/c1-12(2)22-18(25)15-11-21-23-7-5-13(8-16(15)23)10-20-17(24)9-14-4-3-6-19-14/h3-4,6,11-13,19H,5,7-10H2,1-2H3,(H,20,24)(H,22,25)/t13-/m0/s1
InChIKeyXIAUZZYUGUETMR-ZDUSSCGKSA-N
MW343.43 g/mol
LogP1.27
Rot. Bonds6

About (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 129352651) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID129352651
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)Cc1ccc[nH]1)CC2
InChIInChI=1S/C18H25N5O2/c1-12(2)22-18(25)15-11-21-23-7-5-13(8-16(15)23)10-20-17(24)9-14-4-3-6-19-14/h3-4,6,11-13,19H,5,7-10H2,1-2H3,(H,20,24)(H,22,25)/t13-/m0/s1
InChIKeyXIAUZZYUGUETMR-ZDUSSCGKSA-N
XLogP1.27
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

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(5S)-5-[[(4-cyanobenzoyl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129325025
5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128994905
5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128991628
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128994391
5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880
5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 138045424
(5R)-5-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479397
5-(acetamidomethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166235767
N-[[(5R)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
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N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128990675

Frequently Asked Questions

What is the IUPAC name of (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 129352651) is (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)Cc1ccc[nH]1)CC2.
What is the InChIKey of (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is XIAUZZYUGUETMR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)22-18(25)15-11-21-23-7-5-13(8-16(15)23)10-20-17(24)9-14-4-3-6-19-14/h3-4,6,11-13,19H,5,7-10H2,1-2H3,(H,20,24)(H,22,25)/t13-/m0/s1.
What are the key properties of (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
(5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 129352651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).