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

C22H18F3N5O — CID 44547306

IUPAC1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1
InChIInChI=1S/C22H18F3N5O/c1-14-5-6-18(26-11-14)15-7-8-30-19(12-27-20(30)10-15)16-3-2-4-17(9-16)29-21(31)28-13-22(23,24)25/h2-12H,13H2,1H3,(H2,28,29,31)
InChIKeyWAJZYUMMTDBTGH-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.06
Rot. Bonds4

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

1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 44547306) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is 1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID44547306
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC Name1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1
InChIInChI=1S/C22H18F3N5O/c1-14-5-6-18(26-11-14)15-7-8-30-19(12-27-20(30)10-15)16-3-2-4-17(9-16)29-21(31)28-13-22(23,24)25/h2-12H,13H2,1H3,(H2,28,29,31)
InChIKeyWAJZYUMMTDBTGH-UHFFFAOYSA-N
XLogP5.06
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 44547306) is 1-[3-[7-(5-methyl-2-pyridinyl)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-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is Cc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1.
What is the InChIKey of 1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is WAJZYUMMTDBTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-14-5-6-18(26-11-14)15-7-8-30-19(12-27-20(30)10-15)16-3-2-4-17(9-16)29-21(31)28-13-22(23,24)25/h2-12H,13H2,1H3,(H2,28,29,31).
What are the key properties of 1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 425.41 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 44547306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).