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

C28H32N6O2 — CID 129105394

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ncccc1-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1
InChIInChI=1S/C28H32N6O2/c1-20-24(18-31-26-17-25(32-34(20)26)23-9-6-13-30-28(23)36-2)27(35)29-14-10-21-11-15-33(16-12-21)19-22-7-4-3-5-8-22/h3-9,13,17-18,21H,10-12,14-16,19H2,1-2H3,(H,29,35)
InChIKeyKQVQCLZCOWYBQT-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.14
Rot. Bonds8

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 129105394) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID129105394
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ncccc1-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1
InChIInChI=1S/C28H32N6O2/c1-20-24(18-31-26-17-25(32-34(20)26)23-9-6-13-30-28(23)36-2)27(35)29-14-10-21-11-15-33(16-12-21)19-22-7-4-3-5-8-22/h3-9,13,17-18,21H,10-12,14-16,19H2,1-2H3,(H,29,35)
InChIKeyKQVQCLZCOWYBQT-UHFFFAOYSA-N
XLogP4.14
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.14
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-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 129105394) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ncccc1-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KQVQCLZCOWYBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-20-24(18-31-26-17-25(32-34(20)26)23-9-6-13-30-28(23)36-2)27(35)29-14-10-21-11-15-33(16-12-21)19-22-7-4-3-5-8-22/h3-9,13,17-18,21H,10-12,14-16,19H2,1-2H3,(H,29,35).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.14, 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-(2-methoxy-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 129105394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).