N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine

C21H24N6O — CID 58364874

IUPACN-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cc(C3CCCCC3)nc3c(-c4ccn(C)c4)cnn23)no1
InChIInChI=1S/C21H24N6O/c1-14-10-19(25-28-14)24-20-11-18(15-6-4-3-5-7-15)23-21-17(12-22-27(20)21)16-8-9-26(2)13-16/h8-13,15H,3-7H2,1-2H3,(H,24,25)
InChIKeyDEAUGOVAMKHMID-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.82
Rot. Bonds4

About N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine

N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 58364874) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID58364874
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cc(C3CCCCC3)nc3c(-c4ccn(C)c4)cnn23)no1
InChIInChI=1S/C21H24N6O/c1-14-10-19(25-28-14)24-20-11-18(15-6-4-3-5-7-15)23-21-17(12-22-27(20)21)16-8-9-26(2)13-16/h8-13,15H,3-7H2,1-2H3,(H,24,25)
InChIKeyDEAUGOVAMKHMID-UHFFFAOYSA-N
XLogP4.82
TPSA73.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine 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-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine (CID 58364874) is N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4ccn(C)c4)cnn23)no1.
What is the InChIKey of N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is DEAUGOVAMKHMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-10-19(25-28-14)24-20-11-18(15-6-4-3-5-7-15)23-21-17(12-22-27(20)21)16-8-9-26(2)13-16/h8-13,15H,3-7H2,1-2H3,(H,24,25).
What are the key properties of N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine?
N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 376.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 58364874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).