2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C20H21N5O4 — CID 122523723

IUPAC2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc2ncc(C(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C20H21N5O4/c26-18(16-10-17-21-11-15(20(28)29)19(27)25(17)23-16)22-14-6-8-24(9-7-14)12-13-4-2-1-3-5-13/h1-5,10-11,14,23H,6-9,12H2,(H,22,26)(H,28,29)
InChIKeyAGIIFYDYZVBMAN-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.12
Rot. Bonds5

About 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 122523723) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID122523723
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc2ncc(C(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C20H21N5O4/c26-18(16-10-17-21-11-15(20(28)29)19(27)25(17)23-16)22-14-6-8-24(9-7-14)12-13-4-2-1-3-5-13/h1-5,10-11,14,23H,6-9,12H2,(H,22,26)(H,28,29)
InChIKeyAGIIFYDYZVBMAN-UHFFFAOYSA-N
XLogP1.12
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24632331
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
N-(1-benzylpiperidin-4-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254911
4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753452
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3855840
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 122523723) is 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2ncc(C(=O)O)c(=O)n2[nH]1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is AGIIFYDYZVBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c26-18(16-10-17-21-11-15(20(28)29)19(27)25(17)23-16)22-14-6-8-24(9-7-14)12-13-4-2-1-3-5-13/h1-5,10-11,14,23H,6-9,12H2,(H,22,26)(H,28,29).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 395.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 122523723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).