1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea

C20H16F3N7O — CID 45484753

IUPAC1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C(F)(F)F)cn3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C20H16F3N7O/c1-2-25-19(31)29-16-11-30-15(18-26-9-14(10-27-18)20(21,22)23)6-13(7-17(30)28-16)12-4-3-5-24-8-12/h3-11H,2H2,1H3,(H2,25,29,31)
InChIKeyCYHRMQQEJPYYQU-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.01
Rot. Bonds4

About 1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea

1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 45484753) has the molecular formula C20H16F3N7O and a molecular weight of 427.39 g/mol. Its IUPAC name is 1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea
PubChem CID45484753
Molecular FormulaC20H16F3N7O
Molecular Weight427.39 g/mol
Exact Mass427.14
IUPAC Name1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C(F)(F)F)cn3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C20H16F3N7O/c1-2-25-19(31)29-16-11-30-15(18-26-9-14(10-27-18)20(21,22)23)6-13(7-17(30)28-16)12-4-3-5-24-8-12/h3-11H,2H2,1H3,(H2,25,29,31)
InChIKeyCYHRMQQEJPYYQU-UHFFFAOYSA-N
XLogP4.01
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea (CID 45484753) is 1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3ncc(C(F)(F)F)cn3)cc(-c3cccnc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is CYHRMQQEJPYYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O/c1-2-25-19(31)29-16-11-30-15(18-26-9-14(10-27-18)20(21,22)23)6-13(7-17(30)28-16)12-4-3-5-24-8-12/h3-11H,2H2,1H3,(H2,25,29,31).
What are the key properties of 1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 427.39 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-ethyl-3-[7-pyridin-3-yl-5-[5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 45484753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).