5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one

C21H20N4O3 — CID 139004718

IUPAC5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-n2cc(C(=O)N3Cc4ccc(O)cc4C4(CC4)C3)ccc2=O)cn1
InChIInChI=1S/C21H20N4O3/c1-23-12-16(9-22-23)25-11-15(3-5-19(25)27)20(28)24-10-14-2-4-17(26)8-18(14)21(13-24)6-7-21/h2-5,8-9,11-12,26H,6-7,10,13H2,1H3
InChIKeyAMQILVHJNULWLA-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.96
Rot. Bonds2

About 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one

5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 139004718) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID139004718
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-n2cc(C(=O)N3Cc4ccc(O)cc4C4(CC4)C3)ccc2=O)cn1
InChIInChI=1S/C21H20N4O3/c1-23-12-16(9-22-23)25-11-15(3-5-19(25)27)20(28)24-10-14-2-4-17(26)8-18(14)21(13-24)6-7-21/h2-5,8-9,11-12,26H,6-7,10,13H2,1H3
InChIKeyAMQILVHJNULWLA-UHFFFAOYSA-N
XLogP1.96
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one
CID 139003452
5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one
CID 139003459
(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone
CID 124886336
(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 75377385
2-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)pyridine-4-carboxylic acid
CID 122056342
7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one
CID 155954004
[6-(benzimidazol-1-yl)-3-pyridinyl]-spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-ylmethanone
CID 119043755
1-methyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]pyridin-2-one
CID 127339699
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one
CID 97465061
8-(3-fluorobenzoyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 155901290
5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
CID 91945531

Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one (CID 139004718) is 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one is Cn1cc(-n2cc(C(=O)N3Cc4ccc(O)cc4C4(CC4)C3)ccc2=O)cn1.
What is the InChIKey of 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is AMQILVHJNULWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-23-12-16(9-22-23)25-11-15(3-5-19(25)27)20(28)24-10-14-2-4-17(26)8-18(14)21(13-24)6-7-21/h2-5,8-9,11-12,26H,6-7,10,13H2,1H3.
What are the key properties of 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one?
5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 376.42 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 139004718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).