[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone

C18H18FN5O2 — CID 126812212

IUPAC[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(F)(CO)C2)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C18H18FN5O2/c1-12-16(17(26)23-8-6-18(19,10-23)11-25)21-22-24(12)14-4-5-15-13(9-14)3-2-7-20-15/h2-5,7,9,25H,6,8,10-11H2,1H3
InChIKeyRYUNALRTHGBFFD-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.67
Rot. Bonds3

About [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone

[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone (PubChem CID 126812212) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
PubChem CID126812212
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCC(F)(CO)C2)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C18H18FN5O2/c1-12-16(17(26)23-8-6-18(19,10-23)11-25)21-22-24(12)14-4-5-15-13(9-14)3-2-7-20-15/h2-5,7,9,25H,6,8,10-11H2,1H3
InChIKeyRYUNALRTHGBFFD-UHFFFAOYSA-N
XLogP1.67
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone 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

(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
CID 146093015
(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride
CID 119373681
1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide
CID 119126304
(3S)-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514143
[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
CID 95378428
(2R,3R)-2-methyl-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116374
N-(4,4-difluorocyclohexyl)-N,5-dimethyl-1-quinolin-6-yltriazole-4-carboxamide
CID 126808264
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
CID 146088736
N-[2-(cycloheptylamino)ethyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
CID 119619674
3-[(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520073
5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
CID 119445748
5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide
CID 75462818

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone?
The IUPAC name of [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone (CID 126812212) is [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone.
What is the SMILES notation for [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone?
The canonical SMILES for [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone is Cc1c(C(=O)N2CCC(F)(CO)C2)nnn1-c1ccc2ncccc2c1.
What is the InChIKey of [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone?
The InChIKey is RYUNALRTHGBFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-12-16(17(26)23-8-6-18(19,10-23)11-25)21-22-24(12)14-4-5-15-13(9-14)3-2-7-20-15/h2-5,7,9,25H,6,8,10-11H2,1H3.
What are the key properties of [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone?
[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone has a molecular weight of 355.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone is sourced from PubChem (CID 126812212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).