4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine

C20H20N4 — CID 1477617

IUPAC4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine
SMILESCc1cccc(Cn2nc(-n3cccc3)c3c(C)cc(C)nc32)c1
InChIInChI=1S/C20H20N4/c1-14-7-6-8-17(11-14)13-24-19-18(15(2)12-16(3)21-19)20(22-24)23-9-4-5-10-23/h4-12H,13H2,1-3H3
InChIKeyGBPWUFJZUMIZHY-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.20
Rot. Bonds3

About 4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine

4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine (PubChem CID 1477617) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine
PubChem CID1477617
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine
SMILESCc1cccc(Cn2nc(-n3cccc3)c3c(C)cc(C)nc32)c1
InChIInChI=1S/C20H20N4/c1-14-7-6-8-17(11-14)13-24-19-18(15(2)12-16(3)21-19)20(22-24)23-9-4-5-10-23/h4-12H,13H2,1-3H3
InChIKeyGBPWUFJZUMIZHY-UHFFFAOYSA-N
XLogP4.20
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine (CID 1477617) is 4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine is Cc1cccc(Cn2nc(-n3cccc3)c3c(C)cc(C)nc32)c1.
What is the InChIKey of 4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine?
The InChIKey is GBPWUFJZUMIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-14-7-6-8-17(11-14)13-24-19-18(15(2)12-16(3)21-19)20(22-24)23-9-4-5-10-23/h4-12H,13H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine?
4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine has a molecular weight of 316.41 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 1477617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).