1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

C19H18F3N7O2 — CID 46871579

IUPAC1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESO=C(NCC(=O)N1CCCC1)Nc1nc2ccc(-c3cncc(C(F)(F)F)c3)cn2n1
InChIInChI=1S/C19H18F3N7O2/c20-19(21,22)14-7-13(8-23-9-14)12-3-4-15-25-17(27-29(15)11-12)26-18(31)24-10-16(30)28-5-1-2-6-28/h3-4,7-9,11H,1-2,5-6,10H2,(H2,24,26,27,31)
InChIKeyRZBWNPCSTXVOPL-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (PubChem CID 46871579) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
PubChem CID46871579
Molecular FormulaC19H18F3N7O2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESO=C(NCC(=O)N1CCCC1)Nc1nc2ccc(-c3cncc(C(F)(F)F)c3)cn2n1
InChIInChI=1S/C19H18F3N7O2/c20-19(21,22)14-7-13(8-23-9-14)12-3-4-15-25-17(27-29(15)11-12)26-18(31)24-10-16(30)28-5-1-2-6-28/h3-4,7-9,11H,1-2,5-6,10H2,(H2,24,26,27,31)
InChIKeyRZBWNPCSTXVOPL-UHFFFAOYSA-N
XLogP2.55
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (CID 46871579) is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The canonical SMILES for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is O=C(NCC(=O)N1CCCC1)Nc1nc2ccc(-c3cncc(C(F)(F)F)c3)cn2n1.
What is the InChIKey of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The InChIKey is RZBWNPCSTXVOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2/c20-19(21,22)14-7-13(8-23-9-14)12-3-4-15-25-17(27-29(15)11-12)26-18(31)24-10-16(30)28-5-1-2-6-28/h3-4,7-9,11H,1-2,5-6,10H2,(H2,24,26,27,31).
What are the key properties of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea has a molecular weight of 433.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is sourced from PubChem (CID 46871579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).