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

C21H14F3N7O — CID 44548726

IUPAC1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESN#Cc1ccnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1
InChIInChI=1S/C21H14F3N7O/c22-21(23,24)12-28-20(32)30-15-3-1-2-13(8-15)17-11-27-18-9-14(5-7-31(17)18)19-26-6-4-16(10-25)29-19/h1-9,11H,12H2,(H2,28,30,32)
InChIKeyQQCUFVDFKQQNNV-UHFFFAOYSA-N
MW437.39 g/mol
LogP4.01
Rot. Bonds4

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

1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 44548726) has the molecular formula C21H14F3N7O and a molecular weight of 437.39 g/mol. Its IUPAC name is 1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID44548726
Molecular FormulaC21H14F3N7O
Molecular Weight437.39 g/mol
Exact Mass437.12
IUPAC Name1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESN#Cc1ccnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1
InChIInChI=1S/C21H14F3N7O/c22-21(23,24)12-28-20(32)30-15-3-1-2-13(8-15)17-11-27-18-9-14(5-7-31(17)18)19-26-6-4-16(10-25)29-19/h1-9,11H,12H2,(H2,28,30,32)
InChIKeyQQCUFVDFKQQNNV-UHFFFAOYSA-N
XLogP4.01
TPSA108.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

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Related Compounds

PF-4708671
CID 51371303
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
Gsk-3494245
CID 126571915
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
CID 5329349
Imidazopyridine 18a
CID 5329351
2,4-Disubstituted Pyrimidine 2k
CID 5329424
2,4-Disubstituted Pyrimidine 4b
CID 5329431

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 44548726) is 1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is N#Cc1ccnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1.
What is the InChIKey of 1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QQCUFVDFKQQNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N7O/c22-21(23,24)12-28-20(32)30-15-3-1-2-13(8-15)17-11-27-18-9-14(5-7-31(17)18)19-26-6-4-16(10-25)29-19/h1-9,11H,12H2,(H2,28,30,32).
What are the key properties of 1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 437.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(4-cyanopyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 44548726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).