N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C29H30N6O — CID 129105402

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3cccc(C#N)c3)nn12
InChIInChI=1S/C29H30N6O/c1-21-26(19-32-28-17-27(33-35(21)28)25-9-5-8-24(16-25)18-30)29(36)31-13-10-22-11-14-34(15-12-22)20-23-6-3-2-4-7-23/h2-9,16-17,19,22H,10-15,20H2,1H3,(H,31,36)
InChIKeyHYQARYSHAKWYDI-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.61
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 129105402) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID129105402
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3cccc(C#N)c3)nn12
InChIInChI=1S/C29H30N6O/c1-21-26(19-32-28-17-27(33-35(21)28)25-9-5-8-24(16-25)18-30)29(36)31-13-10-22-11-14-34(15-12-22)20-23-6-3-2-4-7-23/h2-9,16-17,19,22H,10-15,20H2,1H3,(H,31,36)
InChIKeyHYQARYSHAKWYDI-UHFFFAOYSA-N
XLogP4.61
TPSA86.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 129105402) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3cccc(C#N)c3)nn12.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HYQARYSHAKWYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O/c1-21-26(19-32-28-17-27(33-35(21)28)25-9-5-8-24(16-25)18-30)29(36)31-13-10-22-11-14-34(15-12-22)20-23-6-3-2-4-7-23/h2-9,16-17,19,22H,10-15,20H2,1H3,(H,31,36).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(3-cyanophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 129105402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).