1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one

C20H21N3O3S — CID 159227268

IUPAC1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2cnc3c(c2)C(S(=O)(=O)N2CCCC2)=CC3)ccn1
InChIInChI=1S/C20H21N3O3S/c1-14(24)10-17-11-15(6-7-21-17)16-12-18-19(22-13-16)4-5-20(18)27(25,26)23-8-2-3-9-23/h5-7,11-13H,2-4,8-10H2,1H3
InChIKeyKSLGKNXQPFQBMK-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one

1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one (PubChem CID 159227268) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one
PubChem CID159227268
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2cnc3c(c2)C(S(=O)(=O)N2CCCC2)=CC3)ccn1
InChIInChI=1S/C20H21N3O3S/c1-14(24)10-17-11-15(6-7-21-17)16-12-18-19(22-13-16)4-5-20(18)27(25,26)23-8-2-3-9-23/h5-7,11-13H,2-4,8-10H2,1H3
InChIKeyKSLGKNXQPFQBMK-UHFFFAOYSA-N
XLogP2.60
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one with MolForge

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Related Compounds

N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide
CID 152861408
N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293550
1-(4-tert-butyl-2-pyridinyl)propan-2-one
CID 91432972
2-[4-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]-2-pyridinyl]-1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]ethanone
CID 158015134
2,4-difluoro-N-[2-(methylamino)-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 161390016
1-(4-chloro-2-pyridinyl)propan-2-one
CID 68541993
2-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224682
1-[4-[4-[[3-(aminomethyl)pyrrolidin-1-yl]-(4-chlorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one
CID 149277993
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
4-(3-pyrrolidin-1-ylsulfonylphenyl)butan-2-one
CID 66668829
4-(2-propyl-4-pyridinyl)benzenesulfonic acid
CID 21452097
1-(3-ethoxyphenyl)sulfonylpyrrolidine
CID 141152893

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one (CID 159227268) is 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(-c2cnc3c(c2)C(S(=O)(=O)N2CCCC2)=CC3)ccn1.
What is the InChIKey of 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one?
The InChIKey is KSLGKNXQPFQBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(24)10-17-11-15(6-7-21-17)16-12-18-19(22-13-16)4-5-20(18)27(25,26)23-8-2-3-9-23/h5-7,11-13H,2-4,8-10H2,1H3.
What are the key properties of 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one?
1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one has a molecular weight of 383.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-pyrrolidin-1-ylsulfonyl-7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one is sourced from PubChem (CID 159227268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).