N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20N6O — CID 66664636

IUPACN-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2cccnc2cc1N1CCCCC1)c1cnn2cccnc12
InChIInChI=1S/C21H20N6O/c28-21(16-14-24-27-11-5-8-23-20(16)27)25-18-12-15-6-4-7-22-17(15)13-19(18)26-9-2-1-3-10-26/h4-8,11-14H,1-3,9-10H2,(H,25,28)
InChIKeyDNDFTQFYHYKBHO-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.52
Rot. Bonds3

About N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66664636) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66664636
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2cccnc2cc1N1CCCCC1)c1cnn2cccnc12
InChIInChI=1S/C21H20N6O/c28-21(16-14-24-27-11-5-8-23-20(16)27)25-18-12-15-6-4-7-22-17(15)13-19(18)26-9-2-1-3-10-26/h4-8,11-14H,1-3,9-10H2,(H,25,28)
InChIKeyDNDFTQFYHYKBHO-UHFFFAOYSA-N
XLogP3.52
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66664636) is N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1cnn2cccnc12.
What is the InChIKey of N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DNDFTQFYHYKBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(16-14-24-27-11-5-8-23-20(16)27)25-18-12-15-6-4-7-22-17(15)13-19(18)26-9-2-1-3-10-26/h4-8,11-14H,1-3,9-10H2,(H,25,28).
What are the key properties of N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-piperidin-1-ylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66664636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).