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

C19H16F3N9O2S — CID 53467643

IUPAC2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(S(=O)(=O)C(F)(F)F)C4)c3)n2)cn1
InChIInChI=1S/C19H16F3N9O2S/c1-28-9-13(7-25-28)15-6-16-24-4-5-30(16)17(27-15)14-8-26-31(10-14)18(2-3-23)11-29(12-18)34(32,33)19(20,21)22/h4-10H,2,11-12H2,1H3
InChIKeyPAYYMWSTLRLSEP-UHFFFAOYSA-N
MW491.46 g/mol
LogP1.77
Rot. Bonds5

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

2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile (PubChem CID 53467643) has the molecular formula C19H16F3N9O2S and a molecular weight of 491.46 g/mol. Its IUPAC name is 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile
PubChem CID53467643
Molecular FormulaC19H16F3N9O2S
Molecular Weight491.46 g/mol
Exact Mass491.11
IUPAC Name2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(S(=O)(=O)C(F)(F)F)C4)c3)n2)cn1
InChIInChI=1S/C19H16F3N9O2S/c1-28-9-13(7-25-28)15-6-16-24-4-5-30(16)17(27-15)14-8-26-31(10-14)18(2-3-23)11-29(12-18)34(32,33)19(20,21)22/h4-10H,2,11-12H2,1H3
InChIKeyPAYYMWSTLRLSEP-UHFFFAOYSA-N
XLogP1.77
TPSA127.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

3-(Imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 53261691
3-(Imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 53261748
CID 146591637
CID 146591637
CID 146591648
CID 146591648
7-{[2-(3-fluoropyridin-2-yl)-1H-imidazol-1-yl]methyl}-8-propyl-2-pyrrolidin-1-yl[1,2,4]triazolo[1,5-c]pyrimidine
CID 11281211
US9999619, Example 259
CID 67391421
US9999619, Example 258
CID 67391596
US9999619, Example 254
CID 67391744
US10294229, Example 61
CID 124160489
US11254668, Example 476
CID 146591669
3-(Cyanomethyl)-3-[3-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]pyrrol-1-yl]cyclobutane-1-carbonitrile
CID 169323035
US11254668, Example 472
CID 146591624

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[7-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile (CID 53467643) is 2-[3-[4-[7-(1-methylpyrazol-4-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-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile is Cn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(S(=O)(=O)C(F)(F)F)C4)c3)n2)cn1.
What is the InChIKey of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile?
The InChIKey is PAYYMWSTLRLSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N9O2S/c1-28-9-13(7-25-28)15-6-16-24-4-5-30(16)17(27-15)14-8-26-31(10-14)18(2-3-23)11-29(12-18)34(32,33)19(20,21)22/h4-10H,2,11-12H2,1H3.
What are the key properties of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile?
2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile has a molecular weight of 491.46 g/mol, XLogP of 1.77, 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-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 53467643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).