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

C20H18F3N7O — CID 59321168

IUPAC1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1c(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nnn1C
InChIInChI=1S/C20H18F3N7O/c1-12-18(27-28-29(12)2)14-6-7-30-16(10-24-17(30)9-14)13-4-3-5-15(8-13)26-19(31)25-11-20(21,22)23/h3-10H,11H2,1-2H3,(H2,25,26,31)
InChIKeyVLRQYCJRFVYFNI-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.79
Rot. Bonds4

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

1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59321168) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is 1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59321168
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1c(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nnn1C
InChIInChI=1S/C20H18F3N7O/c1-12-18(27-28-29(12)2)14-6-7-30-16(10-24-17(30)9-14)13-4-3-5-15(8-13)26-19(31)25-11-20(21,22)23/h3-10H,11H2,1-2H3,(H2,25,26,31)
InChIKeyVLRQYCJRFVYFNI-UHFFFAOYSA-N
XLogP3.79
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 23647350
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CID 44537944
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CID 118278175
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 59321168) is 1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is Cc1c(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nnn1C.
What is the InChIKey of 1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is VLRQYCJRFVYFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-12-18(27-28-29(12)2)14-6-7-30-16(10-24-17(30)9-14)13-4-3-5-15(8-13)26-19(31)25-11-20(21,22)23/h3-10H,11H2,1-2H3,(H2,25,26,31).
What are the key properties of 1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 429.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(1,5-dimethyltriazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59321168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).