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

C22H22N4O — CID 155556861

IUPAC1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C22H22N4O/c1-15-4-6-16(7-5-15)13-26-21-11-17(8-9-18(21)12-24-26)19-10-20(23-2)22(27)25(3)14-19/h4-12,14,23H,13H2,1-3H3
InChIKeyBGMKWCIWURGYRO-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.80
Rot. Bonds4

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

1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one (PubChem CID 155556861) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one
PubChem CID155556861
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C22H22N4O/c1-15-4-6-16(7-5-15)13-26-21-11-17(8-9-18(21)12-24-26)19-10-20(23-2)22(27)25(3)14-19/h4-12,14,23H,13H2,1-3H3
InChIKeyBGMKWCIWURGYRO-UHFFFAOYSA-N
XLogP3.80
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one?
The IUPAC name of 1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one (CID 155556861) is 1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one is CNc1cc(-c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cn(C)c1=O.
What is the InChIKey of 1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one?
The InChIKey is BGMKWCIWURGYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-4-6-16(7-5-15)13-26-21-11-17(8-9-18(21)12-24-26)19-10-20(23-2)22(27)25(3)14-19/h4-12,14,23H,13H2,1-3H3.
What are the key properties of 1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one?
1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one has a molecular weight of 358.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)-5-[1-[(4-methylphenyl)methyl]indazol-6-yl]pyridin-2-one is sourced from PubChem (CID 155556861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).