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

C22H19ClN4O — CID 146457879

IUPAC(4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESCn1nc2c(c1-c1ccccc1)CCN(C(=O)c1c[nH]c3cccc(Cl)c13)C2
InChIInChI=1S/C22H19ClN4O/c1-26-21(14-6-3-2-4-7-14)15-10-11-27(13-19(15)25-26)22(28)16-12-24-18-9-5-8-17(23)20(16)18/h2-9,12,24H,10-11,13H2,1H3
InChIKeyNCVLMNVQEQVQCO-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.42
Rot. Bonds2

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

(4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone (PubChem CID 146457879) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is (4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
PubChem CID146457879
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name(4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESCn1nc2c(c1-c1ccccc1)CCN(C(=O)c1c[nH]c3cccc(Cl)c13)C2
InChIInChI=1S/C22H19ClN4O/c1-26-21(14-6-3-2-4-7-14)15-10-11-27(13-19(15)25-26)22(28)16-12-24-18-9-5-8-17(23)20(16)18/h2-9,12,24H,10-11,13H2,1H3
InChIKeyNCVLMNVQEQVQCO-UHFFFAOYSA-N
XLogP4.42
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
1-benzothiophen-7-yl-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457231
(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone
CID 146457223
[5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone
CID 146515549
(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
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
(5-chloro-2-pyridinyl)-(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)methanone
CID 154569882
(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
[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
(2-chloro-3-methoxyphenyl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515459

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The IUPAC name of (4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone (CID 146457879) is (4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone.
What is the SMILES notation for (4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The canonical SMILES for (4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone is Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1c[nH]c3cccc(Cl)c13)C2.
What is the InChIKey of (4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The InChIKey is NCVLMNVQEQVQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-26-21(14-6-3-2-4-7-14)15-10-11-27(13-19(15)25-26)22(28)16-12-24-18-9-5-8-17(23)20(16)18/h2-9,12,24H,10-11,13H2,1H3.
What are the key properties of (4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
(4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone has a molecular weight of 390.87 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone is sourced from PubChem (CID 146457879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).