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

C20H26FN5O2 — CID 134803537

IUPAC2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C20H26FN5O2/c21-16-6-4-15(5-7-16)13-19(27)22-17-8-10-24(14-17)11-12-26-20(28)25-9-2-1-3-18(25)23-26/h4-7,17H,1-3,8-14H2,(H,22,27)
InChIKeyBKFJAVMTANUKTM-UHFFFAOYSA-N
MW387.46 g/mol
LogP0.95
Rot. Bonds6

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

2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 134803537) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide
PubChem CID134803537
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C20H26FN5O2/c21-16-6-4-15(5-7-16)13-19(27)22-17-8-10-24(14-17)11-12-26-20(28)25-9-2-1-3-18(25)23-26/h4-7,17H,1-3,8-14H2,(H,22,27)
InChIKeyBKFJAVMTANUKTM-UHFFFAOYSA-N
XLogP0.95
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide (CID 134803537) is 2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide is O=C(Cc1ccc(F)cc1)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is BKFJAVMTANUKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c21-16-6-4-15(5-7-16)13-19(27)22-17-8-10-24(14-17)11-12-26-20(28)25-9-2-1-3-18(25)23-26/h4-7,17H,1-3,8-14H2,(H,22,27).
What are the key properties of 2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide?
2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 134803537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).