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

C19H15F3N8O2S2 — CID 67456996

IUPAC2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile
SMILESCc1ncc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(S(=O)(=O)C(F)(F)F)C4)c3)n2)s1
InChIInChI=1S/C19H15F3N8O2S2/c1-12-25-8-15(33-12)14-6-16-24-4-5-29(16)17(27-14)13-7-26-30(9-13)18(2-3-23)10-28(11-18)34(31,32)19(20,21)22/h4-9H,2,10-11H2,1H3
InChIKeyPUSJGOIAYZYZRC-UHFFFAOYSA-N
MW508.51 g/mol
LogP2.80
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-(trifluoromethylsulfonyl)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-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile (PubChem CID 67456996) has the molecular formula C19H15F3N8O2S2 and a molecular weight of 508.51 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-(trifluoromethylsulfonyl)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-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile
PubChem CID67456996
Molecular FormulaC19H15F3N8O2S2
Molecular Weight508.51 g/mol
Exact Mass508.07
IUPAC Name2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile
SMILESCc1ncc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(S(=O)(=O)C(F)(F)F)C4)c3)n2)s1
InChIInChI=1S/C19H15F3N8O2S2/c1-12-25-8-15(33-12)14-6-16-24-4-5-29(16)17(27-14)13-7-26-30(9-13)18(2-3-23)10-28(11-18)34(31,32)19(20,21)22/h4-9H,2,10-11H2,1H3
InChIKeyPUSJGOIAYZYZRC-UHFFFAOYSA-N
XLogP2.80
TPSA122.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

US9096589, 8-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250345
US20230295159, Example 18
CID 166933718
1,3,5-Trimethyl-4-({3-[2-(thiophen-3-YL)-3H-imidazo[4,5-B]pyridin-3-YL]pyrrolidin-1-YL}sulfonyl)-1H-pyrazole
CID 83275611
2-[6-[3-(2,6-Difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole
CID 22030968
2-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-methylsulfonyl-1,3-thiazole
CID 22031096
2-(3-(4-(7-(1-Methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl)-1H-pyrazol-1-yl)-1-(trifluoromethylsulfonyl)azetidin-3-yl)acetonitrile
CID 53467643
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
2-(3-(3-(7-(1-Methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl)-1H-pyrrol-1-yl)-1-(2,2,2-trifluoro ethyl)azetidin-3-yl)acetonitrile
CID 67456733
2-(3-(4-(7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl)-1H-pyrazol-1-yl)-1-(2,2,2-trifluoro ethyl)azetidin-3-yl)acetonitrile
CID 67457683
2-(3-(4-(7-(1-ethyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl)-1H-pyrazol-1-yl)-1-(2,2,2-trifluoroethyl)azetidin-3-yl)acetonitrile
CID 67458007
2-[3-[4-[7-(1-Methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]acetonitrile
CID 67458535
2-[3-[4-[7-(1-Methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile
CID 67458581

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-(trifluoromethylsulfonyl)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-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile (CID 67456996) is 2-[3-[4-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)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-(trifluoromethylsulfonyl)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-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile is Cc1ncc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(S(=O)(=O)C(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-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile?
The InChIKey is PUSJGOIAYZYZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N8O2S2/c1-12-25-8-15(33-12)14-6-16-24-4-5-29(16)17(27-14)13-7-26-30(9-13)18(2-3-23)10-28(11-18)34(31,32)19(20,21)22/h4-9H,2,10-11H2,1H3.
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-(trifluoromethylsulfonyl)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-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile has a molecular weight of 508.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 10 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-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 67456996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).