N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C28H31N5O — CID 162370356

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C28H31N5O/c1-21-25(19-30-27-18-26(31-33(21)27)24-10-6-3-7-11-24)28(34)29-15-12-22-13-16-32(17-14-22)20-23-8-4-2-5-9-23/h2-11,18-19,22H,12-17,20H2,1H3,(H,29,34)
InChIKeyOLMARLILKDKANF-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.74
Rot. Bonds7

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 162370356) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID162370356
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C28H31N5O/c1-21-25(19-30-27-18-26(31-33(21)27)24-10-6-3-7-11-24)28(34)29-15-12-22-13-16-32(17-14-22)20-23-8-4-2-5-9-23/h2-11,18-19,22H,12-17,20H2,1H3,(H,29,34)
InChIKeyOLMARLILKDKANF-UHFFFAOYSA-N
XLogP4.74
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 162370356) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OLMARLILKDKANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-21-25(19-30-27-18-26(31-33(21)27)24-10-6-3-7-11-24)28(34)29-15-12-22-13-16-32(17-14-22)20-23-8-4-2-5-9-23/h2-11,18-19,22H,12-17,20H2,1H3,(H,29,34).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 162370356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).