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

C21H20F3N9 — CID 67457187

IUPAC2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCN(CC(F)(F)F)C4)c3)n2)cn1
InChIInChI=1S/C21H20F3N9/c1-30-11-15(9-27-30)17-8-18-26-5-7-32(18)19(29-17)16-10-28-33(12-16)20(2-4-25)3-6-31(13-20)14-21(22,23)24/h5,7-12H,2-3,6,13-14H2,1H3
InChIKeyOBHOXTNMDJIYJG-UHFFFAOYSA-N
MW455.45 g/mol
LogP2.87
Rot. Bonds5

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

2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetonitrile (PubChem CID 67457187) has the molecular formula C21H20F3N9 and a molecular weight of 455.45 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-(2,2,2-trifluoroethyl)pyrrolidin-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-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetonitrile
PubChem CID67457187
Molecular FormulaC21H20F3N9
Molecular Weight455.45 g/mol
Exact Mass455.18
IUPAC Name2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCN(CC(F)(F)F)C4)c3)n2)cn1
InChIInChI=1S/C21H20F3N9/c1-30-11-15(9-27-30)17-8-18-26-5-7-32(18)19(29-17)16-10-28-33(12-16)20(2-4-25)3-6-31(13-20)14-21(22,23)24/h5,7-12H,2-3,6,13-14H2,1H3
InChIKeyOBHOXTNMDJIYJG-UHFFFAOYSA-N
XLogP2.87
TPSA92.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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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-(2,2,2-trifluoroethyl)pyrrolidin-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-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetonitrile (CID 67457187) is 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-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-(2,2,2-trifluoroethyl)pyrrolidin-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-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetonitrile is Cn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCN(CC(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-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetonitrile?
The InChIKey is OBHOXTNMDJIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N9/c1-30-11-15(9-27-30)17-8-18-26-5-7-32(18)19(29-17)16-10-28-33(12-16)20(2-4-25)3-6-31(13-20)14-21(22,23)24/h5,7-12H,2-3,6,13-14H2,1H3.
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-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetonitrile?
2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetonitrile has a molecular weight of 455.45 g/mol, XLogP of 2.87, 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-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetonitrile is sourced from PubChem (CID 67457187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).