4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine

C20H19N5O — CID 66927270

IUPAC4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
SMILESCOc1ccc(-c2cnc(Nc3ccccc3C)c3[nH]nc(N)c23)cc1
InChIInChI=1S/C20H19N5O/c1-12-5-3-4-6-16(12)23-20-18-17(19(21)25-24-18)15(11-22-20)13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H,22,23)(H3,21,24,25)
InChIKeyQJWQELWGAZYDHK-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.27
Rot. Bonds4

About 4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine

4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine (PubChem CID 66927270) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
PubChem CID66927270
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
SMILESCOc1ccc(-c2cnc(Nc3ccccc3C)c3[nH]nc(N)c23)cc1
InChIInChI=1S/C20H19N5O/c1-12-5-3-4-6-16(12)23-20-18-17(19(21)25-24-18)15(11-22-20)13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H,22,23)(H3,21,24,25)
InChIKeyQJWQELWGAZYDHK-UHFFFAOYSA-N
XLogP4.27
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
The IUPAC name of 4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine (CID 66927270) is 4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine.
What is the SMILES notation for 4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
The canonical SMILES for 4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine is COc1ccc(-c2cnc(Nc3ccccc3C)c3[nH]nc(N)c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
The InChIKey is QJWQELWGAZYDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12-5-3-4-6-16(12)23-20-18-17(19(21)25-24-18)15(11-22-20)13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H,22,23)(H3,21,24,25).
What are the key properties of 4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine has a molecular weight of 345.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine is sourced from PubChem (CID 66927270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).