2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one

C24H25ClFN7O — CID 146485577

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one
SMILESO=c1c(CCC2CCN(c3ncc(F)cn3)CC2)c(C2CC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C24H25ClFN7O/c25-16-4-6-19-20(11-16)30-24(29-19)33-22(34)18(21(31-33)15-2-3-15)5-1-14-7-9-32(10-8-14)23-27-12-17(26)13-28-23/h4,6,11-15,31H,1-3,5,7-10H2,(H,29,30)
InChIKeyOBOPFURIRWEHKR-UHFFFAOYSA-N
MW481.96 g/mol
LogP4.35
Rot. Bonds6

About 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one

2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one (PubChem CID 146485577) has the molecular formula C24H25ClFN7O and a molecular weight of 481.96 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one
PubChem CID146485577
Molecular FormulaC24H25ClFN7O
Molecular Weight481.96 g/mol
Exact Mass481.18
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one
SMILESO=c1c(CCC2CCN(c3ncc(F)cn3)CC2)c(C2CC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C24H25ClFN7O/c25-16-4-6-19-20(11-16)30-24(29-19)33-22(34)18(21(31-33)15-2-3-15)5-1-14-7-9-32(10-8-14)23-27-12-17(26)13-28-23/h4,6,11-15,31H,1-3,5,7-10H2,(H,29,30)
InChIKeyOBOPFURIRWEHKR-UHFFFAOYSA-N
XLogP4.35
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one (CID 146485577) is 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one is O=c1c(CCC2CCN(c3ncc(F)cn3)CC2)c(C2CC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one?
The InChIKey is OBOPFURIRWEHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN7O/c25-16-4-6-19-20(11-16)30-24(29-19)33-22(34)18(21(31-33)15-2-3-15)5-1-14-7-9-32(10-8-14)23-27-12-17(26)13-28-23/h4,6,11-15,31H,1-3,5,7-10H2,(H,29,30).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one?
2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one has a molecular weight of 481.96 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one is sourced from PubChem (CID 146485577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).