6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C25H24N6O — CID 134307761

IUPAC6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H24N6O/c1-16-21(18-10-11-19-20(14-18)27-15-26-19)25(32)31-24(28-16)23(30-12-6-3-7-13-30)22(29-31)17-8-4-2-5-9-17/h2,4-5,8-11,14-15,29H,3,6-7,12-13H2,1H3,(H,26,27)
InChIKeyDJWLVZLXCQDWQC-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.53
Rot. Bonds3

About 6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307761) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307761
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H24N6O/c1-16-21(18-10-11-19-20(14-18)27-15-26-19)25(32)31-24(28-16)23(30-12-6-3-7-13-30)22(29-31)17-8-4-2-5-9-17/h2,4-5,8-11,14-15,29H,3,6-7,12-13H2,1H3,(H,26,27)
InChIKeyDJWLVZLXCQDWQC-UHFFFAOYSA-N
XLogP4.53
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307761) is 6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DJWLVZLXCQDWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-16-21(18-10-11-19-20(14-18)27-15-26-19)25(32)31-24(28-16)23(30-12-6-3-7-13-30)22(29-31)17-8-4-2-5-9-17/h2,4-5,8-11,14-15,29H,3,6-7,12-13H2,1H3,(H,26,27).
What are the key properties of 6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 424.51 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).