7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C23H23N7O3 — CID 67540513

IUPAC7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(n4cccn4)CC3)cnc12
InChIInChI=1S/C23H23N7O3/c31-22(28-11-7-17(8-12-28)29-10-4-9-26-29)18-14-25-21-19(23(32)33)15-27-30(21)20(18)24-13-16-5-2-1-3-6-16/h1-6,9-10,14-15,17,24H,7-8,11-13H2,(H,32,33)
InChIKeyNKRKSXMMLXOHBO-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.71
Rot. Bonds6

About 7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 67540513) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID67540513
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(n4cccn4)CC3)cnc12
InChIInChI=1S/C23H23N7O3/c31-22(28-11-7-17(8-12-28)29-10-4-9-26-29)18-14-25-21-19(23(32)33)15-27-30(21)20(18)24-13-16-5-2-1-3-6-16/h1-6,9-10,14-15,17,24H,7-8,11-13H2,(H,32,33)
InChIKeyNKRKSXMMLXOHBO-UHFFFAOYSA-N
XLogP2.71
TPSA117.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 67540513) is 7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(n4cccn4)CC3)cnc12.
What is the InChIKey of 7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is NKRKSXMMLXOHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c31-22(28-11-7-17(8-12-28)29-10-4-9-26-29)18-14-25-21-19(23(32)33)15-27-30(21)20(18)24-13-16-5-2-1-3-6-16/h1-6,9-10,14-15,17,24H,7-8,11-13H2,(H,32,33).
What are the key properties of 7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 445.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)-6-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 67540513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).