5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one

C22H22N4O2 — CID 155545496

IUPAC5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4ccc(OC)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C22H22N4O2/c1-23-20-10-18(14-25(2)22(20)27)16-6-7-17-12-24-26(21(17)11-16)13-15-4-8-19(28-3)9-5-15/h4-12,14,23H,13H2,1-3H3
InChIKeySAQZGNVSTSRMLS-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.50
Rot. Bonds5

About 5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one

5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one (PubChem CID 155545496) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
PubChem CID155545496
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4ccc(OC)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C22H22N4O2/c1-23-20-10-18(14-25(2)22(20)27)16-6-7-17-12-24-26(21(17)11-16)13-15-4-8-19(28-3)9-5-15/h4-12,14,23H,13H2,1-3H3
InChIKeySAQZGNVSTSRMLS-UHFFFAOYSA-N
XLogP3.50
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11351174
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethoxy)phenyl)pyridin-2(1H)-one
CID 25205320
4-(2-fluoro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206298
4-(2-chloro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206454
4-(2-methyl-4-(trifluoromethoxy)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206612
5-[1-[(3,5-Dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
CID 155546897
4-[(4-methoxyphenyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one
CID 86271143
5-(4-methoxybenzyl)-4-oxo-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 1474584
(E)-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylamide
CID 24979204
(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 24980431
1-[2-(4-Phenoxy-phenyl)-ethyl]-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-5-yl]-urea
CID 44402419

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one (CID 155545496) is 5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The canonical SMILES for 5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one is CNc1cc(-c2ccc3cnn(Cc4ccc(OC)cc4)c3c2)cn(C)c1=O.
What is the InChIKey of 5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The InChIKey is SAQZGNVSTSRMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-23-20-10-18(14-25(2)22(20)27)16-6-7-17-12-24-26(21(17)11-16)13-15-4-8-19(28-3)9-5-15/h4-12,14,23H,13H2,1-3H3.
What are the key properties of 5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 155545496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).