4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine

C23H20N6O — CID 71680844

IUPAC4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine
SMILESCOc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)n3nc(C)cc32)cc1
InChIInChI=1S/C23H20N6O/c1-15-10-21-23(27-22(24)29(21)28-15,18-6-8-20(30-2)9-7-18)19-5-3-4-16(11-19)17-12-25-14-26-13-17/h3-14H,1-2H3,(H2,24,27)
InChIKeyRUUJDLSJAYXIRG-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.13
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine

4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine (PubChem CID 71680844) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine
PubChem CID71680844
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine
SMILESCOc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)n3nc(C)cc32)cc1
InChIInChI=1S/C23H20N6O/c1-15-10-21-23(27-22(24)29(21)28-15,18-6-8-20(30-2)9-7-18)19-5-3-4-16(11-19)17-12-25-14-26-13-17/h3-14H,1-2H3,(H2,24,27)
InChIKeyRUUJDLSJAYXIRG-UHFFFAOYSA-N
XLogP3.13
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine (CID 71680844) is 4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine is COc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)n3nc(C)cc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine?
The InChIKey is RUUJDLSJAYXIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-15-10-21-23(27-22(24)29(21)28-15,18-6-8-20(30-2)9-7-18)19-5-3-4-16(11-19)17-12-25-14-26-13-17/h3-14H,1-2H3,(H2,24,27).
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine?
4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine has a molecular weight of 396.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-4-(3-pyrimidin-5-ylphenyl)imidazo[1,5-b]pyrazol-6-amine is sourced from PubChem (CID 71680844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).