2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide

C20H15N7O3 — CID 174590665

IUPAC2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc5[nH]ncc45)nc32)c1
InChIInChI=1S/C20H15N7O3/c1-30-11-5-2-4-10(8-11)27-19-16(24-20(27)29)15(17(21)28)23-18(25-19)12-6-3-7-14-13(12)9-22-26-14/h2-9H,1H3,(H2,21,28)(H,22,26)(H,24,29)
InChIKeyZLMDATJDKMHRNF-UHFFFAOYSA-N
MW401.39 g/mol
LogP1.76
Rot. Bonds4

About 2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide

2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 174590665) has the molecular formula C20H15N7O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID174590665
Molecular FormulaC20H15N7O3
Molecular Weight401.39 g/mol
Exact Mass401.12
IUPAC Name2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc5[nH]ncc45)nc32)c1
InChIInChI=1S/C20H15N7O3/c1-30-11-5-2-4-10(8-11)27-19-16(24-20(27)29)15(17(21)28)23-18(25-19)12-6-3-7-14-13(12)9-22-26-14/h2-9H,1H3,(H2,21,28)(H,22,26)(H,24,29)
InChIKeyZLMDATJDKMHRNF-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

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Related Compounds

2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 57474731
9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide
CID 174590872
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
2-(2-ethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422841
9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
CID 7599621
9-(3-chlorophenyl)-2-(2,5-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603324
2-(2,5-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603297
2-(2,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603293
9-(3-methoxyphenyl)-8-oxo-2-propyl-7H-purine-6-carboxamide
CID 7599602
2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603359
9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135680395
9-(2-methoxyphenyl)-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196971

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 174590665) is 2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc5[nH]ncc45)nc32)c1.
What is the InChIKey of 2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is ZLMDATJDKMHRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O3/c1-30-11-5-2-4-10(8-11)27-19-16(24-20(27)29)15(17(21)28)23-18(25-19)12-6-3-7-14-13(12)9-22-26-14/h2-9H,1H3,(H2,21,28)(H,22,26)(H,24,29).
What are the key properties of 2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(1H-indazol-4-yl)-9-(3-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-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 174590665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).