(3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one

C18H22FN5O — CID 97021683

IUPAC(3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1nnc2n1CCCC2
InChIInChI=1S/C18H22FN5O/c1-12(17-22-21-16-8-4-5-10-24(16)17)20-14-9-11-23(18(14)25)15-7-3-2-6-13(15)19/h2-3,6-7,12,14,20H,4-5,8-11H2,1H3/t12-,14-/m1/s1
InChIKeyQLVHFQIYBHPBQO-TZMCWYRMSA-N
MW343.41 g/mol
LogP2.21
Rot. Bonds4

About (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one

(3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one (PubChem CID 97021683) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one
PubChem CID97021683
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name(3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1nnc2n1CCCC2
InChIInChI=1S/C18H22FN5O/c1-12(17-22-21-16-8-4-5-10-24(16)17)20-14-9-11-23(18(14)25)15-7-3-2-6-13(15)19/h2-3,6-7,12,14,20H,4-5,8-11H2,1H3/t12-,14-/m1/s1
InChIKeyQLVHFQIYBHPBQO-TZMCWYRMSA-N
XLogP2.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one 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

(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one
CID 96511939
(3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 95779909
methyl (2S)-2-(2-fluorophenyl)-2-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetate
CID 124607654
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexanamine
CID 43746944
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 95284464
2,6-dimethyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexan-1-amine
CID 43746932
N-[(2,6-difluorophenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748063
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 79043170
1-(4-bromo-2,5-difluorophenyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 107608068
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 71931590

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one (CID 97021683) is (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one is C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1nnc2n1CCCC2.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one?
The InChIKey is QLVHFQIYBHPBQO-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-12(17-22-21-16-8-4-5-10-24(16)17)20-14-9-11-23(18(14)25)15-7-3-2-6-13(15)19/h2-3,6-7,12,14,20H,4-5,8-11H2,1H3/t12-,14-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one?
(3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one has a molecular weight of 343.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 97021683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).