2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile

C22H22F3N9 — CID 67461769

IUPAC2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCN(CC(F)(F)F)CC4)c3)n2)cn1
InChIInChI=1S/C22H22F3N9/c1-31-13-16(11-28-31)18-10-19-27-6-9-33(19)20(30-18)17-12-29-34(14-17)21(2-5-26)3-7-32(8-4-21)15-22(23,24)25/h6,9-14H,2-4,7-8,15H2,1H3
InChIKeyJMSYRXMDZFOOBM-UHFFFAOYSA-N
MW469.48 g/mol
LogP3.26
Rot. Bonds5

About 2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile

2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile (PubChem CID 67461769) has the molecular formula C22H22F3N9 and a molecular weight of 469.48 g/mol. Its IUPAC name is 2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile
PubChem CID67461769
Molecular FormulaC22H22F3N9
Molecular Weight469.48 g/mol
Exact Mass469.20
IUPAC Name2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCN(CC(F)(F)F)CC4)c3)n2)cn1
InChIInChI=1S/C22H22F3N9/c1-31-13-16(11-28-31)18-10-19-27-6-9-33(19)20(30-18)17-12-29-34(14-17)21(2-5-26)3-7-32(8-4-21)15-22(23,24)25/h6,9-14H,2-4,7-8,15H2,1H3
InChIKeyJMSYRXMDZFOOBM-UHFFFAOYSA-N
XLogP3.26
TPSA92.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile (CID 67461769) is 2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile is Cn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCN(CC(F)(F)F)CC4)c3)n2)cn1.
What is the InChIKey of 2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile?
The InChIKey is JMSYRXMDZFOOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N9/c1-31-13-16(11-28-31)18-10-19-27-6-9-33(19)20(30-18)17-12-29-34(14-17)21(2-5-26)3-7-32(8-4-21)15-22(23,24)25/h6,9-14H,2-4,7-8,15H2,1H3.
What are the key properties of 2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile?
2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile has a molecular weight of 469.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile is sourced from PubChem (CID 67461769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).