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

C19H18F3N7 — CID 67456817

IUPAC2-[3-[4-(7-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESN#CCC1(n2cc(-c3nc(C4CC4)cc4nccn34)cn2)CN(CC(F)(F)F)C1
InChIInChI=1S/C19H18F3N7/c20-19(21,22)12-27-10-18(11-27,3-4-23)29-9-14(8-25-29)17-26-15(13-1-2-13)7-16-24-5-6-28(16)17/h5-9,13H,1-3,10-12H2
InChIKeyLQNGLNXUUCRBPD-UHFFFAOYSA-N
MW401.40 g/mol
LogP2.96
Rot. Bonds5

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

2-[3-[4-(7-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (PubChem CID 67456817) has the molecular formula C19H18F3N7 and a molecular weight of 401.40 g/mol. Its IUPAC name is 2-[3-[4-(7-cyclopropylimidazo[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-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
PubChem CID67456817
Molecular FormulaC19H18F3N7
Molecular Weight401.40 g/mol
Exact Mass401.16
IUPAC Name2-[3-[4-(7-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESN#CCC1(n2cc(-c3nc(C4CC4)cc4nccn34)cn2)CN(CC(F)(F)F)C1
InChIInChI=1S/C19H18F3N7/c20-19(21,22)12-27-10-18(11-27,3-4-23)29-9-14(8-25-29)17-26-15(13-1-2-13)7-16-24-5-6-28(16)17/h5-9,13H,1-3,10-12H2
InChIKeyLQNGLNXUUCRBPD-UHFFFAOYSA-N
XLogP2.96
TPSA75.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(7-cyclopropylimidazo[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-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (CID 67456817) is 2-[3-[4-(7-cyclopropylimidazo[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-cyclopropylimidazo[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-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is N#CCC1(n2cc(-c3nc(C4CC4)cc4nccn34)cn2)CN(CC(F)(F)F)C1.
What is the InChIKey of 2-[3-[4-(7-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The InChIKey is LQNGLNXUUCRBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7/c20-19(21,22)12-27-10-18(11-27,3-4-23)29-9-14(8-25-29)17-26-15(13-1-2-13)7-16-24-5-6-28(16)17/h5-9,13H,1-3,10-12H2.
What are the key properties of 2-[3-[4-(7-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
2-[3-[4-(7-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile has a molecular weight of 401.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(7-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 67456817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).