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

C20H20FN9 — CID 87407581

IUPAC2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(CCF)C4)c3)n2)cn1
InChIInChI=1S/C20H20FN9/c1-27-11-15(9-24-27)17-8-18-23-5-7-29(18)19(26-17)16-10-25-30(12-16)20(2-4-22)13-28(14-20)6-3-21/h5,7-12H,2-3,6,13-14H2,1H3
InChIKeyXMUCZZPNAALHEK-UHFFFAOYSA-N
MW405.44 g/mol
LogP1.89
Rot. Bonds6

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

2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 87407581) has the molecular formula C20H20FN9 and a molecular weight of 405.44 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
PubChem CID87407581
Molecular FormulaC20H20FN9
Molecular Weight405.44 g/mol
Exact Mass405.18
IUPAC Name2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(CCF)C4)c3)n2)cn1
InChIInChI=1S/C20H20FN9/c1-27-11-15(9-24-27)17-8-18-23-5-7-29(18)19(26-17)16-10-25-30(12-16)20(2-4-22)13-28(14-20)6-3-21/h5,7-12H,2-3,6,13-14H2,1H3
InChIKeyXMUCZZPNAALHEK-UHFFFAOYSA-N
XLogP1.89
TPSA92.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (CID 87407581) is 2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is Cn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(CCF)C4)c3)n2)cn1.
What is the InChIKey of 2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is XMUCZZPNAALHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN9/c1-27-11-15(9-24-27)17-8-18-23-5-7-29(18)19(26-17)16-10-25-30(12-16)20(2-4-22)13-28(14-20)6-3-21/h5,7-12H,2-3,6,13-14H2,1H3.
What are the key properties of 2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 405.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 87407581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).