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

C27H30N6O — CID 162370363

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3ccccn3)nn12
InChIInChI=1S/C27H30N6O/c1-20-23(18-30-26-17-25(31-33(20)26)24-9-5-6-13-28-24)27(34)29-14-10-21-11-15-32(16-12-21)19-22-7-3-2-4-8-22/h2-9,13,17-18,21H,10-12,14-16,19H2,1H3,(H,29,34)
InChIKeyWKLRHZXSIOAKIQ-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.13
Rot. Bonds7

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 162370363) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID162370363
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3ccccn3)nn12
InChIInChI=1S/C27H30N6O/c1-20-23(18-30-26-17-25(31-33(20)26)24-9-5-6-13-28-24)27(34)29-14-10-21-11-15-32(16-12-21)19-22-7-3-2-4-8-22/h2-9,13,17-18,21H,10-12,14-16,19H2,1H3,(H,29,34)
InChIKeyWKLRHZXSIOAKIQ-UHFFFAOYSA-N
XLogP4.13
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.13
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]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 162370363) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3ccccn3)nn12.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WKLRHZXSIOAKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-20-23(18-30-26-17-25(31-33(20)26)24-9-5-6-13-28-24)27(34)29-14-10-21-11-15-32(16-12-21)19-22-7-3-2-4-8-22/h2-9,13,17-18,21H,10-12,14-16,19H2,1H3,(H,29,34).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 4.13, 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]-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 162370363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).