1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C19H16F3N7O — CID 59320823

IUPAC1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ncnn1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C19H16F3N7O/c1-12-25-11-26-29(12)15-5-6-28-16(9-23-17(28)8-15)13-3-2-4-14(7-13)27-18(30)24-10-19(20,21)22/h2-9,11H,10H2,1H3,(H2,24,27,30)
InChIKeyGCWUCZHOOKJVGU-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.57
Rot. Bonds4

About 1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59320823) has the molecular formula C19H16F3N7O and a molecular weight of 415.38 g/mol. Its IUPAC name is 1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59320823
Molecular FormulaC19H16F3N7O
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC Name1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ncnn1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C19H16F3N7O/c1-12-25-11-26-29(12)15-5-6-28-16(9-23-17(28)8-15)13-3-2-4-14(7-13)27-18(30)24-10-19(20,21)22/h2-9,11H,10H2,1H3,(H2,24,27,30)
InChIKeyGCWUCZHOOKJVGU-UHFFFAOYSA-N
XLogP3.57
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 59320823) is 1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is Cc1ncnn1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.
What is the InChIKey of 1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GCWUCZHOOKJVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O/c1-12-25-11-26-29(12)15-5-6-28-16(9-23-17(28)8-15)13-3-2-4-14(7-13)27-18(30)24-10-19(20,21)22/h2-9,11H,10H2,1H3,(H2,24,27,30).
What are the key properties of 1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 415.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59320823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).