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

C21H20F3N9 — CID 67458007

IUPAC2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n2)cn1
InChIInChI=1S/C21H20F3N9/c1-2-31-10-15(8-27-31)17-7-18-26-5-6-32(18)19(29-17)16-9-28-33(11-16)20(3-4-25)12-30(13-20)14-21(22,23)24/h5-11H,2-3,12-14H2,1H3
InChIKeyIBMVUNCMPDWTCD-UHFFFAOYSA-N
MW455.45 g/mol
LogP2.96
Rot. Bonds6

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

2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (PubChem CID 67458007) has the molecular formula C21H20F3N9 and a molecular weight of 455.45 g/mol. Its IUPAC name is 2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
PubChem CID67458007
Molecular FormulaC21H20F3N9
Molecular Weight455.45 g/mol
Exact Mass455.18
IUPAC Name2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n2)cn1
InChIInChI=1S/C21H20F3N9/c1-2-31-10-15(8-27-31)17-7-18-26-5-6-32(18)19(29-17)16-9-28-33(11-16)20(3-4-25)12-30(13-20)14-21(22,23)24/h5-11H,2-3,12-14H2,1H3
InChIKeyIBMVUNCMPDWTCD-UHFFFAOYSA-N
XLogP2.96
TPSA92.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (CID 67458007) is 2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is CCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n2)cn1.
What is the InChIKey of 2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The InChIKey is IBMVUNCMPDWTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N9/c1-2-31-10-15(8-27-31)17-7-18-26-5-6-32(18)19(29-17)16-9-28-33(11-16)20(3-4-25)12-30(13-20)14-21(22,23)24/h5-11H,2-3,12-14H2,1H3.
What are the key properties of 2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
2-[3-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile has a molecular weight of 455.45 g/mol, XLogP of 2.96, 6 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-ethylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 67458007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).