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

C29H33N5O2 — CID 162370323

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2cc3ncc(C(=O)NCCC4CCN(Cc5ccccc5)CC4)c(C)n3n2)cc1
InChIInChI=1S/C29H33N5O2/c1-21-26(19-31-28-18-27(32-34(21)28)24-8-10-25(36-2)11-9-24)29(35)30-15-12-22-13-16-33(17-14-22)20-23-6-4-3-5-7-23/h3-11,18-19,22H,12-17,20H2,1-2H3,(H,30,35)
InChIKeyFAYLYRGWXJBRBQ-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.75
Rot. Bonds8

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 162370323) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID162370323
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2cc3ncc(C(=O)NCCC4CCN(Cc5ccccc5)CC4)c(C)n3n2)cc1
InChIInChI=1S/C29H33N5O2/c1-21-26(19-31-28-18-27(32-34(21)28)24-8-10-25(36-2)11-9-24)29(35)30-15-12-22-13-16-33(17-14-22)20-23-6-4-3-5-7-23/h3-11,18-19,22H,12-17,20H2,1-2H3,(H,30,35)
InChIKeyFAYLYRGWXJBRBQ-UHFFFAOYSA-N
XLogP4.75
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.75
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-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 162370323) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(-c2cc3ncc(C(=O)NCCC4CCN(Cc5ccccc5)CC4)c(C)n3n2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FAYLYRGWXJBRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-21-26(19-31-28-18-27(32-34(21)28)24-8-10-25(36-2)11-9-24)29(35)30-15-12-22-13-16-33(17-14-22)20-23-6-4-3-5-7-23/h3-11,18-19,22H,12-17,20H2,1-2H3,(H,30,35).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 4.75, 8 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-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 162370323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).