3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one

C19H18ClN3O2 — CID 155372922

IUPAC3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1c[nH]c(=O)c2c(C(=O)N3CCC(c4ccc(Cl)cc4)C3)c[nH]c12
InChIInChI=1S/C19H18ClN3O2/c1-11-8-22-18(24)16-15(9-21-17(11)16)19(25)23-7-6-13(10-23)12-2-4-14(20)5-3-12/h2-5,8-9,13,21H,6-7,10H2,1H3,(H,22,24)
InChIKeyKARGNWRUSXSXPT-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.45
Rot. Bonds2

About 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one

3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 155372922) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
PubChem CID155372922
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1c[nH]c(=O)c2c(C(=O)N3CCC(c4ccc(Cl)cc4)C3)c[nH]c12
InChIInChI=1S/C19H18ClN3O2/c1-11-8-22-18(24)16-15(9-21-17(11)16)19(25)23-7-6-13(10-23)12-2-4-14(20)5-3-12/h2-5,8-9,13,21H,6-7,10H2,1H3,(H,22,24)
InChIKeyKARGNWRUSXSXPT-UHFFFAOYSA-N
XLogP3.45
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

[3-(4-chlorophenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146469
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 57329601
3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 155372655
[4-(4-chloro-2-methylanilino)-6-sulfanylidene-1H-pyridin-3-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412613
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-dichlorophenyl)methanone
CID 121146499
3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 166249883
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-difluorophenyl)methanone
CID 121146583
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
[3-(4-chlorophenyl)azepan-1-yl]-(3,5-dimethylphenyl)methanone
CID 121146472
(2-bromophenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146494
(5-chloro-2-methoxyphenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146503
4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 121146702

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one (CID 155372922) is 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one is Cc1c[nH]c(=O)c2c(C(=O)N3CCC(c4ccc(Cl)cc4)C3)c[nH]c12.
What is the InChIKey of 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is KARGNWRUSXSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-11-8-22-18(24)16-15(9-21-17(11)16)19(25)23-7-6-13(10-23)12-2-4-14(20)5-3-12/h2-5,8-9,13,21H,6-7,10H2,1H3,(H,22,24).
What are the key properties of 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 355.83 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155372922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).