2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide

C20H15N7O3 — CID 57474731

IUPAC2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc4[nH]ncc34)nc21
InChIInChI=1S/C20H15N7O3/c1-30-14-8-3-2-7-13(14)27-19-16(24-20(27)29)15(17(21)28)23-18(25-19)10-5-4-6-12-11(10)9-22-26-12/h2-9H,1H3,(H2,21,28)(H,22,26)(H,24,29)
InChIKeyDMGNAUXWHPUTBF-UHFFFAOYSA-N
MW401.39 g/mol
LogP1.76
Rot. Bonds4

About 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide

2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 57474731) has the molecular formula C20H15N7O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID57474731
Molecular FormulaC20H15N7O3
Molecular Weight401.39 g/mol
Exact Mass401.12
IUPAC Name2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc4[nH]ncc34)nc21
InChIInChI=1S/C20H15N7O3/c1-30-14-8-3-2-7-13(14)27-19-16(24-20(27)29)15(17(21)28)23-18(25-19)10-5-4-6-12-11(10)9-22-26-12/h2-9H,1H3,(H2,21,28)(H,22,26)(H,24,29)
InChIKeyDMGNAUXWHPUTBF-UHFFFAOYSA-N
XLogP1.76
TPSA144.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide 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 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 57474731) is 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc4[nH]ncc34)nc21.
What is the InChIKey of 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is DMGNAUXWHPUTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O3/c1-30-14-8-3-2-7-13(14)27-19-16(24-20(27)29)15(17(21)28)23-18(25-19)10-5-4-6-12-11(10)9-22-26-12/h2-9H,1H3,(H2,21,28)(H,22,26)(H,24,29).
What are the key properties of 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 57474731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).