2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C22H24N4O2 — CID 126924717

IUPAC2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C(c1cccc2[nH]ccc12)N1CCCC1Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C22H24N4O2/c27-21-13-15-5-1-2-8-19(15)24-26(21)14-16-6-4-12-25(16)22(28)18-7-3-9-20-17(18)10-11-23-20/h3,7,9-11,13,16,23H,1-2,4-6,8,12,14H2
InChIKeyGSLNXIVOJKLTDC-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.91
Rot. Bonds3

About 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126924717) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126924717
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C(c1cccc2[nH]ccc12)N1CCCC1Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C22H24N4O2/c27-21-13-15-5-1-2-8-19(15)24-26(21)14-16-6-4-12-25(16)22(28)18-7-3-9-20-17(18)10-11-23-20/h3,7,9-11,13,16,23H,1-2,4-6,8,12,14H2
InChIKeyGSLNXIVOJKLTDC-UHFFFAOYSA-N
XLogP2.91
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[2-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126924289
2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924280
2-[[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924639
2-[[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924654
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-4-yl)methanone
CID 116635844
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924723
2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924276
2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924275
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305
2-[[1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925318
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925008

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126924717) is 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=C(c1cccc2[nH]ccc12)N1CCCC1Cn1nc2c(cc1=O)CCCC2.
What is the InChIKey of 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is GSLNXIVOJKLTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21-13-15-5-1-2-8-19(15)24-26(21)14-16-6-4-12-25(16)22(28)18-7-3-9-20-17(18)10-11-23-20/h3,7,9-11,13,16,23H,1-2,4-6,8,12,14H2.
What are the key properties of 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 376.46 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126924717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).