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

C23H22N4O — CID 146457330

IUPAC(1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESCn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cccc3c1ccn3C)C2
InChIInChI=1S/C23H22N4O/c1-25-13-11-17-18(9-6-10-21(17)25)23(28)27-14-12-19-20(15-27)24-26(2)22(19)16-7-4-3-5-8-16/h3-11,13H,12,14-15H2,1-2H3
InChIKeyVAIXWXAOFACVLN-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.78
Rot. Bonds2

About (1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone

(1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone (PubChem CID 146457330) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
PubChem CID146457330
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESCn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cccc3c1ccn3C)C2
InChIInChI=1S/C23H22N4O/c1-25-13-11-17-18(9-6-10-21(17)25)23(28)27-14-12-19-20(15-27)24-26(2)22(19)16-7-4-3-5-8-16/h3-11,13H,12,14-15H2,1-2H3
InChIKeyVAIXWXAOFACVLN-UHFFFAOYSA-N
XLogP3.78
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.78
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
(4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457879
(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone
CID 146457223
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
(1-methylindol-7-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516245
(2-chloro-6-methoxyphenyl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457251
1-(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)ethanone
CID 154571143
(3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 118893952
(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1-methylindol-4-yl)methanone
CID 56763650
(1-cyclopropylpyrrol-2-yl)-(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)methanone
CID 154567570
[2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyrimidin-5-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 90408755

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The IUPAC name of (1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone (CID 146457330) is (1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone.
What is the SMILES notation for (1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The canonical SMILES for (1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone is Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cccc3c1ccn3C)C2.
What is the InChIKey of (1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The InChIKey is VAIXWXAOFACVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-25-13-11-17-18(9-6-10-21(17)25)23(28)27-14-12-19-20(15-27)24-26(2)22(19)16-7-4-3-5-8-16/h3-11,13H,12,14-15H2,1-2H3.
What are the key properties of (1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
(1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone has a molecular weight of 370.46 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone is sourced from PubChem (CID 146457330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).