3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide

C19H24FN5O — CID 136513343

IUPAC3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide
SMILESCc1nc2n(n1)CCCC2NC(=O)N1CCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN5O/c1-13-21-18-17(3-2-9-25(18)23-13)22-19(26)24-10-8-15(12-24)11-14-4-6-16(20)7-5-14/h4-7,15,17H,2-3,8-12H2,1H3,(H,22,26)
InChIKeyOOVBQDVDIBXDIT-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.83
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide

3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide (PubChem CID 136513343) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide
PubChem CID136513343
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide
SMILESCc1nc2n(n1)CCCC2NC(=O)N1CCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN5O/c1-13-21-18-17(3-2-9-25(18)23-13)22-19(26)24-10-8-15(12-24)11-14-4-6-16(20)7-5-14/h4-7,15,17H,2-3,8-12H2,1H3,(H,22,26)
InChIKeyOOVBQDVDIBXDIT-UHFFFAOYSA-N
XLogP2.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 136513308
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 94384032
1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxy-3-methylpentan-1-one
CID 136518814
1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 126772268
1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-(4-nitrophenyl)ethyl]urea
CID 84586054
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111930602
1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 136526783
2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 84595388
1-[(1S)-cyclohex-3-en-1-yl]-3-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96995511
1-[2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120691973

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide (CID 136513343) is 3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide is Cc1nc2n(n1)CCCC2NC(=O)N1CCC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide?
The InChIKey is OOVBQDVDIBXDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-13-21-18-17(3-2-9-25(18)23-13)22-19(26)24-10-8-15(12-24)11-14-4-6-16(20)7-5-14/h4-7,15,17H,2-3,8-12H2,1H3,(H,22,26).
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide?
3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136513343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).