1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide

C18H13N7O — CID 5331041

IUPAC1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESNC(=O)c1[nH]n(-c2ccc(-c3ncc[nH]3)cc2)c2c1ccc1nncc12
InChIInChI=1S/C18H13N7O/c19-17(26)15-12-5-6-14-13(9-22-23-14)16(12)25(24-15)11-3-1-10(2-4-11)18-20-7-8-21-18/h1-9,24H,(H2,19,26)(H,20,21)
InChIKeyVZJUEGHEDIPOOR-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.39
Rot. Bonds3

About 1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide

1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide (PubChem CID 5331041) has the molecular formula C18H13N7O and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
PubChem CID5331041
Molecular FormulaC18H13N7O
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESNC(=O)c1[nH]n(-c2ccc(-c3ncc[nH]3)cc2)c2c1ccc1nncc12
InChIInChI=1S/C18H13N7O/c19-17(26)15-12-5-6-14-13(9-22-23-14)16(12)25(24-15)11-3-1-10(2-4-11)18-20-7-8-21-18/h1-9,24H,(H2,19,26)(H,20,21)
InChIKeyVZJUEGHEDIPOOR-UHFFFAOYSA-N
XLogP2.39
TPSA118.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide (CID 5331041) is 1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide is NC(=O)c1[nH]n(-c2ccc(-c3ncc[nH]3)cc2)c2c1ccc1nncc12.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The InChIKey is VZJUEGHEDIPOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O/c19-17(26)15-12-5-6-14-13(9-22-23-14)16(12)25(24-15)11-3-1-10(2-4-11)18-20-7-8-21-18/h1-9,24H,(H2,19,26)(H,20,21).
What are the key properties of 1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-yl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide is sourced from PubChem (CID 5331041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).