(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone

C23H20N4O — CID 146457223

IUPAC(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone
SMILESCn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccc3ccccc3n1)C2
InChIInChI=1S/C23H20N4O/c1-26-22(17-8-3-2-4-9-17)18-13-14-27(15-21(18)25-26)23(28)20-12-11-16-7-5-6-10-19(16)24-20/h2-12H,13-15H2,1H3
InChIKeyDTKIAOYZWWDUKM-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.83
Rot. Bonds2

About (2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone

(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone (PubChem CID 146457223) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is (2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone
PubChem CID146457223
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone
SMILESCn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccc3ccccc3n1)C2
InChIInChI=1S/C23H20N4O/c1-26-22(17-8-3-2-4-9-17)18-13-14-27(15-21(18)25-26)23(28)20-12-11-16-7-5-6-10-19(16)24-20/h2-12H,13-15H2,1H3
InChIKeyDTKIAOYZWWDUKM-UHFFFAOYSA-N
XLogP3.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-7-yl-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457231
cinnolin-3-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515546
1-(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)ethanone
CID 154571143
imidazo[1,2-a]pyridin-3-yl-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457705
(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457246
(5-chloro-2-pyridinyl)-(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)methanone
CID 154569882
(2-chloro-6-methoxyphenyl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457251
(1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457330
(4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457879
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
2-methyl-7-(quinoline-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 110197875
(1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516336

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone?
The IUPAC name of (2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone (CID 146457223) is (2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone is Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccc3ccccc3n1)C2.
What is the InChIKey of (2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone?
The InChIKey is DTKIAOYZWWDUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-26-22(17-8-3-2-4-9-17)18-13-14-27(15-21(18)25-26)23(28)20-12-11-16-7-5-6-10-19(16)24-20/h2-12H,13-15H2,1H3.
What are the key properties of (2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone?
(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone has a molecular weight of 368.44 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 146457223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).