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

C24H25N5O — CID 134307148

IUPAC6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1cccc(N)c1
InChIInChI=1S/C24H25N5O/c1-16-20(18-11-8-12-19(25)15-18)24(30)29-23(26-16)22(28-13-6-3-7-14-28)21(27-29)17-9-4-2-5-10-17/h2,4-5,8-12,15,27H,3,6-7,13-14,25H2,1H3
InChIKeyVYMQVBFHVZFVPY-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.24
Rot. Bonds3

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

6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307148) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307148
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1cccc(N)c1
InChIInChI=1S/C24H25N5O/c1-16-20(18-11-8-12-19(25)15-18)24(30)29-23(26-16)22(28-13-6-3-7-14-28)21(27-29)17-9-4-2-5-10-17/h2,4-5,8-12,15,27H,3,6-7,13-14,25H2,1H3
InChIKeyVYMQVBFHVZFVPY-UHFFFAOYSA-N
XLogP4.24
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307148) is 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(3-aminophenyl)-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-c1cccc(N)c1.
What is the InChIKey of 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VYMQVBFHVZFVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16-20(18-11-8-12-19(25)15-18)24(30)29-23(26-16)22(28-13-6-3-7-14-28)21(27-29)17-9-4-2-5-10-17/h2,4-5,8-12,15,27H,3,6-7,13-14,25H2,1H3.
What are the key properties of 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 399.50 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).