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

C18H22FN5O — CID 71921567

IUPAC3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCCc1nc2n(n1)CCCC2NC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H22FN5O/c1-2-16-21-17-13(7-5-10-24(17)22-16)20-14-9-11-23(18(14)25)15-8-4-3-6-12(15)19/h3-4,6,8,13-14,20H,2,5,7,9-11H2,1H3
InChIKeyWGYVLEPHQHRUQP-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.21
Rot. Bonds4

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

3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 71921567) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID71921567
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCCc1nc2n(n1)CCCC2NC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H22FN5O/c1-2-16-21-17-13(7-5-10-24(17)22-16)20-14-9-11-23(18(14)25)15-8-4-3-6-12(15)19/h3-4,6,8,13-14,20H,2,5,7,9-11H2,1H3
InChIKeyWGYVLEPHQHRUQP-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one (CID 71921567) is 3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one is CCc1nc2n(n1)CCCC2NC1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is WGYVLEPHQHRUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-2-16-21-17-13(7-5-10-24(17)22-16)20-14-9-11-23(18(14)25)15-8-4-3-6-12(15)19/h3-4,6,8,13-14,20H,2,5,7,9-11H2,1H3.
What are the key properties of 3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one?
3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)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 3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 71921567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).