1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide

C17H27FN6O2 — CID 171148762

IUPAC1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(CC2CC(F)CN2C(=O)NC2CCCC2)nn1
InChIInChI=1S/C17H27FN6O2/c1-11(2)19-16(25)15-10-23(22-21-15)9-14-7-12(18)8-24(14)17(26)20-13-5-3-4-6-13/h10-14H,3-9H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyVQBVMWTUSNLRRW-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.48
Rot. Bonds5

About 1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide

1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 171148762) has the molecular formula C17H27FN6O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID171148762
Molecular FormulaC17H27FN6O2
Molecular Weight366.44 g/mol
Exact Mass366.22
IUPAC Name1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(CC2CC(F)CN2C(=O)NC2CCCC2)nn1
InChIInChI=1S/C17H27FN6O2/c1-11(2)19-16(25)15-10-23(22-21-15)9-14-7-12(18)8-24(14)17(26)20-13-5-3-4-6-13/h10-14H,3-9H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyVQBVMWTUSNLRRW-UHFFFAOYSA-N
XLogP1.48
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide (CID 171148762) is 1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide is CC(C)NC(=O)c1cn(CC2CC(F)CN2C(=O)NC2CCCC2)nn1.
What is the InChIKey of 1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is VQBVMWTUSNLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN6O2/c1-11(2)19-16(25)15-10-23(22-21-15)9-14-7-12(18)8-24(14)17(26)20-13-5-3-4-6-13/h10-14H,3-9H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of 1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide?
1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclopentylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 171148762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).