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

C21H19F3N8 — CID 67456733

IUPAC2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3ccn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n2)cn1
InChIInChI=1S/C21H19F3N8/c1-29-10-16(9-27-29)17-8-18-26-5-7-32(18)19(28-17)15-2-6-31(11-15)20(3-4-25)12-30(13-20)14-21(22,23)24/h2,5-11H,3,12-14H2,1H3
InChIKeyOUABYDRAILRXRL-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.09
Rot. Bonds5

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

2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (PubChem CID 67456733) has the molecular formula C21H19F3N8 and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
PubChem CID67456733
Molecular FormulaC21H19F3N8
Molecular Weight440.43 g/mol
Exact Mass440.17
IUPAC Name2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3ccn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n2)cn1
InChIInChI=1S/C21H19F3N8/c1-29-10-16(9-27-29)17-8-18-26-5-7-32(18)19(28-17)15-2-6-31(11-15)20(3-4-25)12-30(13-20)14-21(22,23)24/h2,5-11H,3,12-14H2,1H3
InChIKeyOUABYDRAILRXRL-UHFFFAOYSA-N
XLogP3.09
TPSA79.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (CID 67456733) is 2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is Cn1cc(-c2cc3nccn3c(-c3ccn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n2)cn1.
What is the InChIKey of 2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The InChIKey is OUABYDRAILRXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N8/c1-29-10-16(9-27-29)17-8-18-26-5-7-32(18)19(28-17)15-2-6-31(11-15)20(3-4-25)12-30(13-20)14-21(22,23)24/h2,5-11H,3,12-14H2,1H3.
What are the key properties of 2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile has a molecular weight of 440.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 67456733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).