1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide

C21H17N3O2 — CID 144793521

IUPAC1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(C#CC3CCCC3=O)c2)c2ccccc12
InChIInChI=1S/C21H17N3O2/c22-21(26)20-17-8-1-2-9-18(17)24(23-20)16-7-3-5-14(13-16)11-12-15-6-4-10-19(15)25/h1-3,5,7-9,13,15H,4,6,10H2,(H2,22,26)
InChIKeyHTLSBLNJXQRTRF-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.85
Rot. Bonds2

About 1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide

1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide (PubChem CID 144793521) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide
PubChem CID144793521
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(C#CC3CCCC3=O)c2)c2ccccc12
InChIInChI=1S/C21H17N3O2/c22-21(26)20-17-8-1-2-9-18(17)24(23-20)16-7-3-5-14(13-16)11-12-15-6-4-10-19(15)25/h1-3,5,7-9,13,15H,4,6,10H2,(H2,22,26)
InChIKeyHTLSBLNJXQRTRF-UHFFFAOYSA-N
XLogP2.85
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-[3-[2-(1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 144793265
6-cyano-1-[3-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 144793425
6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 144793337
1-[3-[4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]-5-(hydroxymethyl)indazole-3-carboxamide
CID 144792839
[1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50840809
5-methyl-1-[3-[2-(3-methyl-2-oxo-3-azabicyclo[3.1.0]hexan-1-yl)ethynyl]phenyl]pyrazolo[5,4-c]pyridazine-3-carboxamide
CID 123999143
1-(3-ethynylphenyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide
CID 144793261
(4R)-1-[3-[(3R)-5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-4-hydroxy-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 144793153
1-fluoroindazole-3-carboxamide
CID 68893080
1-[3-[2-[(1R,4R,5S,6R)-4-hydroxy-2,6-dimethyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 138569314
1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxylate
CID 162218835
1-(1-methylpyrazol-3-yl)indazole-3-carboxamide
CID 141444852

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide?
The IUPAC name of 1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide (CID 144793521) is 1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide?
The canonical SMILES for 1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide is NC(=O)c1nn(-c2cccc(C#CC3CCCC3=O)c2)c2ccccc12.
What is the InChIKey of 1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide?
The InChIKey is HTLSBLNJXQRTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c22-21(26)20-17-8-1-2-9-18(17)24(23-20)16-7-3-5-14(13-16)11-12-15-6-4-10-19(15)25/h1-3,5,7-9,13,15H,4,6,10H2,(H2,22,26).
What are the key properties of 1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide?
1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-oxocyclopentyl)ethynyl]phenyl]indazole-3-carboxamide is sourced from PubChem (CID 144793521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).