7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

C20H16ClN3O2 — CID 144793368

IUPAC7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESC=C[C@](C)(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccc(Cl)cc23)c1
InChIInChI=1S/C20H16ClN3O2/c1-3-20(2,26)9-7-13-5-4-6-14(11-13)17-16-12-15(21)8-10-24(16)19(23-17)18(22)25/h3-6,8,10-12,26H,1H2,2H3,(H2,22,25)/t20-/m0/s1
InChIKeyZQZKSGYPKRJEMU-FQEVSTJZSA-N
MW365.82 g/mol
LogP3.04
Rot. Bonds3

About 7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 144793368) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID144793368
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESC=C[C@](C)(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccc(Cl)cc23)c1
InChIInChI=1S/C20H16ClN3O2/c1-3-20(2,26)9-7-13-5-4-6-14(11-13)17-16-12-15(21)8-10-24(16)19(23-17)18(22)25/h3-6,8,10-12,26H,1H2,2H3,(H2,22,25)/t20-/m0/s1
InChIKeyZQZKSGYPKRJEMU-FQEVSTJZSA-N
XLogP3.04
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 134295241
1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide
CID 123417549
1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 144793006
7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 134295356
1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 138559291
1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 157302261
4-[3-[(3R)-5-(dimethylamino)-3-formyl-3-hydroxypent-1-ynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide
CID 130269903
2-(3-chlorophenyl)imidazo[1,2-a]pyrimidine-3,7-dicarboxamide
CID 123348623
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
4-[3-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-yl)phenyl]-2-[2-(dimethylamino)ethyl]-2-hydroxybut-3-ynal
CID 123489033
3-(3,3-dimethylbut-1-ynyl)benzamide
CID 69120535
ethyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate
CID 140668605

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 144793368) is 7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is C=C[C@](C)(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccc(Cl)cc23)c1.
What is the InChIKey of 7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZQZKSGYPKRJEMU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-3-20(2,26)9-7-13-5-4-6-14(11-13)17-16-12-15(21)8-10-24(16)19(23-17)18(22)25/h3-6,8,10-12,26H,1H2,2H3,(H2,22,25)/t20-/m0/s1.
What are the key properties of 7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 144793368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).