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

C25H25N7O — CID 134307705

IUPAC6-(2-amino-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(N)[nH]c2c1
InChIInChI=1S/C25H25N7O/c1-15-20(17-10-11-18-19(14-17)29-25(26)28-18)24(33)32-23(27-15)22(31-12-6-3-7-13-31)21(30-32)16-8-4-2-5-9-16/h2,4-5,8-11,14,30H,3,6-7,12-13H2,1H3,(H3,26,28,29)
InChIKeyVPBAVBVJCNXKGL-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.11
Rot. Bonds3

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

6-(2-amino-3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307705) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-(2-amino-3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-amino-3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307705
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name6-(2-amino-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(N)[nH]c2c1
InChIInChI=1S/C25H25N7O/c1-15-20(17-10-11-18-19(14-17)29-25(26)28-18)24(33)32-23(27-15)22(31-12-6-3-7-13-31)21(30-32)16-8-4-2-5-9-16/h2,4-5,8-11,14,30H,3,6-7,12-13H2,1H3,(H3,26,28,29)
InChIKeyVPBAVBVJCNXKGL-UHFFFAOYSA-N
XLogP4.11
TPSA108.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-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-(2-amino-3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307705) is 6-(2-amino-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-(2-amino-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-(2-amino-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(N)[nH]c2c1.
What is the InChIKey of 6-(2-amino-3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VPBAVBVJCNXKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-15-20(17-10-11-18-19(14-17)29-25(26)28-18)24(33)32-23(27-15)22(31-12-6-3-7-13-31)21(30-32)16-8-4-2-5-9-16/h2,4-5,8-11,14,30H,3,6-7,12-13H2,1H3,(H3,26,28,29).
What are the key properties of 6-(2-amino-3H-benzimidazol-5-yl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(2-amino-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 439.52 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-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 134307705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).