2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

C20H17F3N8S — CID 53497471

IUPAC2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCc1ncc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n2)s1
InChIInChI=1S/C20H17F3N8S/c1-13-26-8-16(32-13)15-6-17-25-4-5-30(17)18(28-15)14-7-27-31(9-14)19(2-3-24)10-29(11-19)12-20(21,22)23/h4-9H,2,10-12H2,1H3
InChIKeyPFGSXEGYUMDTOQ-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.51
Rot. Bonds5

About 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (PubChem CID 53497471) has the molecular formula C20H17F3N8S and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
PubChem CID53497471
Molecular FormulaC20H17F3N8S
Molecular Weight458.47 g/mol
Exact Mass458.12
IUPAC Name2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCc1ncc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n2)s1
InChIInChI=1S/C20H17F3N8S/c1-13-26-8-16(32-13)15-6-17-25-4-5-30(17)18(28-15)14-7-27-31(9-14)19(2-3-24)10-29(11-19)12-20(21,22)23/h4-9H,2,10-12H2,1H3
InChIKeyPFGSXEGYUMDTOQ-UHFFFAOYSA-N
XLogP3.51
TPSA87.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (CID 53497471) is 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is Cc1ncc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n2)s1.
What is the InChIKey of 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The InChIKey is PFGSXEGYUMDTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N8S/c1-13-26-8-16(32-13)15-6-17-25-4-5-30(17)18(28-15)14-7-27-31(9-14)19(2-3-24)10-29(11-19)12-20(21,22)23/h4-9H,2,10-12H2,1H3.
What are the key properties of 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile has a molecular weight of 458.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 53497471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).