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

C22H20N4O — CID 155092510

IUPAC(1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCc2c(cnn2Cc2ccccc2)C1
InChIInChI=1S/C22H20N4O/c27-22(20-12-17-8-4-5-9-19(17)24-20)25-11-10-21-18(15-25)13-23-26(21)14-16-6-2-1-3-7-16/h1-9,12-13,24H,10-11,14-15H2
InChIKeyVFACUAVMGJPCBE-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.61
Rot. Bonds3

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

(1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone (PubChem CID 155092510) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is (1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
PubChem CID155092510
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name(1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCc2c(cnn2Cc2ccccc2)C1
InChIInChI=1S/C22H20N4O/c27-22(20-12-17-8-4-5-9-19(17)24-20)25-11-10-21-18(15-25)13-23-26(21)14-16-6-2-1-3-7-16/h1-9,12-13,24H,10-11,14-15H2
InChIKeyVFACUAVMGJPCBE-UHFFFAOYSA-N
XLogP3.61
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 139328420
1H-indol-2-yl-(2-phenylmethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576163
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
CID 27515136
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 150471098
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648
4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one
CID 29259304
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 142576411
[2-[[1-(hydroxymethyl)cyclopropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576232
2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 82588919
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl(1H-indol-2-yl)methanone
CID 167813037

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone (CID 155092510) is (1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCc2c(cnn2Cc2ccccc2)C1.
What is the InChIKey of (1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone?
The InChIKey is VFACUAVMGJPCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-22(20-12-17-8-4-5-9-19(17)24-20)25-11-10-21-18(15-25)13-23-26(21)14-16-6-2-1-3-7-16/h1-9,12-13,24H,10-11,14-15H2.
What are the key properties of (1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone?
(1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone is sourced from PubChem (CID 155092510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).