1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C22H19F3N6OS — CID 44546843

IUPAC1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nc5c(s4)CNCC5)ccn23)c1
InChIInChI=1S/C22H19F3N6OS/c23-22(24,25)12-28-21(32)29-15-3-1-2-13(8-15)17-10-27-19-9-14(5-7-31(17)19)20-30-16-4-6-26-11-18(16)33-20/h1-3,5,7-10,26H,4,6,11-12H2,(H2,28,29,32)
InChIKeySYYWXUPQJHTGCG-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.45
Rot. Bonds4

About 1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 44546843) has the molecular formula C22H19F3N6OS and a molecular weight of 472.50 g/mol. Its IUPAC name is 1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID44546843
Molecular FormulaC22H19F3N6OS
Molecular Weight472.50 g/mol
Exact Mass472.13
IUPAC Name1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nc5c(s4)CNCC5)ccn23)c1
InChIInChI=1S/C22H19F3N6OS/c23-22(24,25)12-28-21(32)29-15-3-1-2-13(8-15)17-10-27-19-9-14(5-7-31(17)19)20-30-16-4-6-26-11-18(16)33-20/h1-3,5,7-10,26H,4,6,11-12H2,(H2,28,29,32)
InChIKeySYYWXUPQJHTGCG-UHFFFAOYSA-N
XLogP4.45
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 44546843) is 1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-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-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nc5c(s4)CNCC5)ccn23)c1.
What is the InChIKey of 1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is SYYWXUPQJHTGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6OS/c23-22(24,25)12-28-21(32)29-15-3-1-2-13(8-15)17-10-27-19-9-14(5-7-31(17)19)20-30-16-4-6-26-11-18(16)33-20/h1-3,5,7-10,26H,4,6,11-12H2,(H2,28,29,32).
What are the key properties of 1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 472.50 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 44546843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).