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

C20H17N7 — CID 50995266

IUPAC4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
SMILESCc1ccccc1Nc1ncc(-c2ccc3[nH]ncc3c2)c2c(N)n[nH]c12
InChIInChI=1S/C20H17N7/c1-11-4-2-3-5-15(11)24-20-18-17(19(21)27-26-18)14(10-22-20)12-6-7-16-13(8-12)9-23-25-16/h2-10H,1H3,(H,22,24)(H,23,25)(H3,21,26,27)
InChIKeyUCRLNBQMYOWMIF-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.14
Rot. Bonds3

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

4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine (PubChem CID 50995266) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
PubChem CID50995266
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
SMILESCc1ccccc1Nc1ncc(-c2ccc3[nH]ncc3c2)c2c(N)n[nH]c12
InChIInChI=1S/C20H17N7/c1-11-4-2-3-5-15(11)24-20-18-17(19(21)27-26-18)14(10-22-20)12-6-7-16-13(8-12)9-23-25-16/h2-10H,1H3,(H,22,24)(H,23,25)(H3,21,26,27)
InChIKeyUCRLNBQMYOWMIF-UHFFFAOYSA-N
XLogP4.14
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
The IUPAC name of 4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine (CID 50995266) is 4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine.
What is the SMILES notation for 4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
The canonical SMILES for 4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine is Cc1ccccc1Nc1ncc(-c2ccc3[nH]ncc3c2)c2c(N)n[nH]c12.
What is the InChIKey of 4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
The InChIKey is UCRLNBQMYOWMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-11-4-2-3-5-15(11)24-20-18-17(19(21)27-26-18)14(10-22-20)12-6-7-16-13(8-12)9-23-25-16/h2-10H,1H3,(H,22,24)(H,23,25)(H3,21,26,27).
What are the key properties of 4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine?
4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine has a molecular weight of 355.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine is sourced from PubChem (CID 50995266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).