[4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone

C24H20ClFN2O3 — CID 156815708

IUPAC[4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(C2CCN(C(=O)c3ncccc3Cl)C2)c(CO)c1
InChIInChI=1S/C24H20ClFN2O3/c25-21-2-1-10-27-22(21)24(31)28-11-9-17(13-28)20-8-5-16(12-18(20)14-29)23(30)15-3-6-19(26)7-4-15/h1-8,10,12,17,29H,9,11,13-14H2
InChIKeyCXZQYKUMGFTCNS-UHFFFAOYSA-N
MW438.89 g/mol
LogP4.23
Rot. Bonds5

About [4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone

[4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone (PubChem CID 156815708) has the molecular formula C24H20ClFN2O3 and a molecular weight of 438.89 g/mol. Its IUPAC name is [4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone
PubChem CID156815708
Molecular FormulaC24H20ClFN2O3
Molecular Weight438.89 g/mol
Exact Mass438.11
IUPAC Name[4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(C2CCN(C(=O)c3ncccc3Cl)C2)c(CO)c1
InChIInChI=1S/C24H20ClFN2O3/c25-21-2-1-10-27-22(21)24(31)28-11-9-17(13-28)20-8-5-16(12-18(20)14-29)23(30)15-3-6-19(26)7-4-15/h1-8,10,12,17,29H,9,11,13-14H2
InChIKeyCXZQYKUMGFTCNS-UHFFFAOYSA-N
XLogP4.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-2-pyridinyl)-[3-[4-[(4-fluorophenyl)-hydroxymethyl]-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]methanone
CID 156815571
2-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-5-hydroxybenzaldehyde;(3-chloro-2-pyridinyl)-[3-[2-(hydroxymethyl)-4-(2-methylphenoxy)phenyl]pyrrolidin-1-yl]methanone;(2-methylphenyl)boronic acid
CID 167695473
2-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-ethylphenoxy)benzaldehyde
CID 156814694
2-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-5-phenoxybenzaldehyde
CID 166004287
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 53191158
[3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 156814637
[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 164633243
[3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 166004515
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975
[(3S)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838076
2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-(4-fluorobenzoyl)benzaldehyde
CID 156815130

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone (CID 156815708) is [4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(C2CCN(C(=O)c3ncccc3Cl)C2)c(CO)c1.
What is the InChIKey of [4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone?
The InChIKey is CXZQYKUMGFTCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O3/c25-21-2-1-10-27-22(21)24(31)28-11-9-17(13-28)20-8-5-16(12-18(20)14-29)23(30)15-3-6-19(26)7-4-15/h1-8,10,12,17,29H,9,11,13-14H2.
What are the key properties of [4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone?
[4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone has a molecular weight of 438.89 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-3-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 156815708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).