[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone

C23H17F2N5O2 — CID 1231804

IUPAC[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)n4c(C)nc5ccccc54)c3n2)cc1
InChIInChI=1S/C23H17F2N5O2/c1-13-27-17-5-3-4-6-19(17)29(13)23(31)16-12-26-30-20(21(24)25)11-18(28-22(16)30)14-7-9-15(32-2)10-8-14/h3-12,21H,1-2H3
InChIKeyQWAKTJJSFGCUDE-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.69
Rot. Bonds4

About [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone

[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone (PubChem CID 1231804) has the molecular formula C23H17F2N5O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone
PubChem CID1231804
Molecular FormulaC23H17F2N5O2
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)n4c(C)nc5ccccc54)c3n2)cc1
InChIInChI=1S/C23H17F2N5O2/c1-13-27-17-5-3-4-6-19(17)29(13)23(31)16-12-26-30-20(21(24)25)11-18(28-22(16)30)14-7-9-15(32-2)10-8-14/h3-12,21H,1-2H3
InChIKeyQWAKTJJSFGCUDE-UHFFFAOYSA-N
XLogP4.69
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone?
The IUPAC name of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone (CID 1231804) is [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone.
What is the SMILES notation for [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone?
The canonical SMILES for [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)n4c(C)nc5ccccc54)c3n2)cc1.
What is the InChIKey of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone?
The InChIKey is QWAKTJJSFGCUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2/c1-13-27-17-5-3-4-6-19(17)29(13)23(31)16-12-26-30-20(21(24)25)11-18(28-22(16)30)14-7-9-15(32-2)10-8-14/h3-12,21H,1-2H3.
What are the key properties of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone?
[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone has a molecular weight of 433.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylbenzimidazol-1-yl)methanone is sourced from PubChem (CID 1231804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).