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

C19H25FN6O2 — CID 134803618

IUPAC1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccccc1F)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C19H25FN6O2/c20-15-5-1-2-6-16(15)22-18(27)21-14-8-10-24(13-14)11-12-26-19(28)25-9-4-3-7-17(25)23-26/h1-2,5-6,14H,3-4,7-13H2,(H2,21,22,27)
InChIKeyLERNUGVKPJMKJZ-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.42
Rot. Bonds5

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

1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea (PubChem CID 134803618) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea
PubChem CID134803618
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC Name1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccccc1F)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C19H25FN6O2/c20-15-5-1-2-6-16(15)22-18(27)21-14-8-10-24(13-14)11-12-26-19(28)25-9-4-3-7-17(25)23-26/h1-2,5-6,14H,3-4,7-13H2,(H2,21,22,27)
InChIKeyLERNUGVKPJMKJZ-UHFFFAOYSA-N
XLogP1.42
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea (CID 134803618) is 1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea is O=C(Nc1ccccc1F)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea?
The InChIKey is LERNUGVKPJMKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c20-15-5-1-2-6-16(15)22-18(27)21-14-8-10-24(13-14)11-12-26-19(28)25-9-4-3-7-17(25)23-26/h1-2,5-6,14H,3-4,7-13H2,(H2,21,22,27).
What are the key properties of 1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea?
1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea has a molecular weight of 388.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 134803618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).