N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22N4O3 — CID 127038358

IUPACN-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn2c1
InChIInChI=1S/C18H22N4O3/c1-25-13-7-19-16-14(8-20-22(16)9-13)17(23)21-15-11-2-10-3-12(15)6-18(24,4-10)5-11/h7-12,15,24H,2-6H2,1H3,(H,21,23)
InChIKeyYESADRLYYATWOH-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.41
Rot. Bonds3

About N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127038358) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127038358
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn2c1
InChIInChI=1S/C18H22N4O3/c1-25-13-7-19-16-14(8-20-22(16)9-13)17(23)21-15-11-2-10-3-12(15)6-18(24,4-10)5-11/h7-12,15,24H,2-6H2,1H3,(H,21,23)
InChIKeyYESADRLYYATWOH-UHFFFAOYSA-N
XLogP1.41
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127038358) is N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn2c1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YESADRLYYATWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-13-7-19-16-14(8-20-22(16)9-13)17(23)21-15-11-2-10-3-12(15)6-18(24,4-10)5-11/h7-12,15,24H,2-6H2,1H3,(H,21,23).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127038358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).