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

C23H20F3N9O — CID 67456938

IUPAC2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(=O)C5(C(F)(F)F)CC5)C4)c3)n2)cn1
InChIInChI=1S/C23H20F3N9O/c1-32-11-15(9-29-32)17-8-18-28-6-7-34(18)19(31-17)16-10-30-35(12-16)21(4-5-27)13-33(14-21)20(36)22(2-3-22)23(24,25)26/h6-12H,2-4,13-14H2,1H3
InChIKeyYVSRGMRUDGAWJZ-UHFFFAOYSA-N
MW495.47 g/mol
LogP2.79
Rot. Bonds5

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

2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]acetonitrile (PubChem CID 67456938) has the molecular formula C23H20F3N9O and a molecular weight of 495.47 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-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-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-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]acetonitrile
PubChem CID67456938
Molecular FormulaC23H20F3N9O
Molecular Weight495.47 g/mol
Exact Mass495.17
IUPAC Name2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(=O)C5(C(F)(F)F)CC5)C4)c3)n2)cn1
InChIInChI=1S/C23H20F3N9O/c1-32-11-15(9-29-32)17-8-18-28-6-7-34(18)19(31-17)16-10-30-35(12-16)21(4-5-27)13-33(14-21)20(36)22(2-3-22)23(24,25)26/h6-12H,2-4,13-14H2,1H3
InChIKeyYVSRGMRUDGAWJZ-UHFFFAOYSA-N
XLogP2.79
TPSA109.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 52.79
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-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-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-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-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-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]acetonitrile (CID 67456938) is 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-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-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-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-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]acetonitrile is Cn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(=O)C5(C(F)(F)F)CC5)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-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]acetonitrile?
The InChIKey is YVSRGMRUDGAWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N9O/c1-32-11-15(9-29-32)17-8-18-28-6-7-34(18)19(31-17)16-10-30-35(12-16)21(4-5-27)13-33(14-21)20(36)22(2-3-22)23(24,25)26/h6-12H,2-4,13-14H2,1H3.
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-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]acetonitrile?
2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]acetonitrile has a molecular weight of 495.47 g/mol, XLogP of 2.79, 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-[1-(trifluoromethyl)cyclopropanecarbonyl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 67456938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).