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

C29H34N6O2 — CID 129105479

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(C)c(-c2cc3ncc(C(=O)NCCC4CCN(Cc5ccccc5)CC4)c(C)n3n2)cn1
InChIInChI=1S/C29H34N6O2/c1-20-15-28(37-3)32-17-24(20)26-16-27-31-18-25(21(2)35(27)33-26)29(36)30-12-9-22-10-13-34(14-11-22)19-23-7-5-4-6-8-23/h4-8,15-18,22H,9-14,19H2,1-3H3,(H,30,36)
InChIKeyAPYZRYZGCFZMDW-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.45
Rot. Bonds8

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 129105479) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID129105479
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(C)c(-c2cc3ncc(C(=O)NCCC4CCN(Cc5ccccc5)CC4)c(C)n3n2)cn1
InChIInChI=1S/C29H34N6O2/c1-20-15-28(37-3)32-17-24(20)26-16-27-31-18-25(21(2)35(27)33-26)29(36)30-12-9-22-10-13-34(14-11-22)19-23-7-5-4-6-8-23/h4-8,15-18,22H,9-14,19H2,1-3H3,(H,30,36)
InChIKeyAPYZRYZGCFZMDW-UHFFFAOYSA-N
XLogP4.45
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 129105479) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1cc(C)c(-c2cc3ncc(C(=O)NCCC4CCN(Cc5ccccc5)CC4)c(C)n3n2)cn1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is APYZRYZGCFZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-20-15-28(37-3)32-17-24(20)26-16-27-31-18-25(21(2)35(27)33-26)29(36)30-12-9-22-10-13-34(14-11-22)19-23-7-5-4-6-8-23/h4-8,15-18,22H,9-14,19H2,1-3H3,(H,30,36).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(6-methoxy-4-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 129105479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).