N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide

C12H10IN5O — CID 167795285

IUPACN-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc2c(I)[nH]nc12
InChIInChI=1S/C12H10IN5O/c1-18-6-14-5-9(18)12(19)15-8-4-2-3-7-10(8)16-17-11(7)13/h2-6H,1H3,(H,15,19)(H,16,17)
InChIKeyIZFMVCQFFGSPAH-UHFFFAOYSA-N
MW367.15 g/mol
LogP2.15
Rot. Bonds2

About N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide

N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide (PubChem CID 167795285) has the molecular formula C12H10IN5O and a molecular weight of 367.15 g/mol. Its IUPAC name is N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide
PubChem CID167795285
Molecular FormulaC12H10IN5O
Molecular Weight367.15 g/mol
Exact Mass366.99
IUPAC NameN-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc2c(I)[nH]nc12
InChIInChI=1S/C12H10IN5O/c1-18-6-14-5-9(18)12(19)15-8-4-2-3-7-10(8)16-17-11(7)13/h2-6H,1H3,(H,15,19)(H,16,17)
InChIKeyIZFMVCQFFGSPAH-UHFFFAOYSA-N
XLogP2.15
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide (CID 167795285) is N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cccc2c(I)[nH]nc12.
What is the InChIKey of N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide?
The InChIKey is IZFMVCQFFGSPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN5O/c1-18-6-14-5-9(18)12(19)15-8-4-2-3-7-10(8)16-17-11(7)13/h2-6H,1H3,(H,15,19)(H,16,17).
What are the key properties of N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide?
N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide has a molecular weight of 367.15 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 167795285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).