N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide

C18H15N5O3 — CID 166348680

IUPACN-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide
SMILESNC(=O)c1n[nH]c2ccc(NC(=O)c3ccc4c(c3)CCNC4=O)cc12
InChIInChI=1S/C18H15N5O3/c19-16(24)15-13-8-11(2-4-14(13)22-23-15)21-17(25)10-1-3-12-9(7-10)5-6-20-18(12)26/h1-4,7-8H,5-6H2,(H2,19,24)(H,20,26)(H,21,25)(H,22,23)
InChIKeyJARDWKVOYZKOQV-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.20
Rot. Bonds3

About N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide

N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide (PubChem CID 166348680) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide
PubChem CID166348680
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide
SMILESNC(=O)c1n[nH]c2ccc(NC(=O)c3ccc4c(c3)CCNC4=O)cc12
InChIInChI=1S/C18H15N5O3/c19-16(24)15-13-8-11(2-4-14(13)22-23-15)21-17(25)10-1-3-12-9(7-10)5-6-20-18(12)26/h1-4,7-8H,5-6H2,(H2,19,24)(H,20,26)(H,21,25)(H,22,23)
InChIKeyJARDWKVOYZKOQV-UHFFFAOYSA-N
XLogP1.20
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide with MolForge

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Related Compounds

(3-carbamoyl-1H-indazol-5-yl)carbamic acid
CID 151772440
3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524781
4-N-(3-pyridin-3-yl-1H-indazol-5-yl)benzene-1,4-dicarboxamide
CID 170562682
4-tert-butyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524768
N-(1H-indazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704644
5-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-1H-indazole-3-carboxamide
CID 167878177
methyl 4-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamoyl]benzoate
CID 56764988
N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
CID 142208930
1-oxo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 166187306
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
N-(1H-indol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61250452
methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate
CID 35372978

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide?
The IUPAC name of N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide (CID 166348680) is N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide is NC(=O)c1n[nH]c2ccc(NC(=O)c3ccc4c(c3)CCNC4=O)cc12.
What is the InChIKey of N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide?
The InChIKey is JARDWKVOYZKOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c19-16(24)15-13-8-11(2-4-14(13)22-23-15)21-17(25)10-1-3-12-9(7-10)5-6-20-18(12)26/h1-4,7-8H,5-6H2,(H2,19,24)(H,20,26)(H,21,25)(H,22,23).
What are the key properties of N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide?
N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide is sourced from PubChem (CID 166348680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).