N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide

C21H20N4O2 — CID 75490269

IUPACN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C21H20N4O2/c1-27-12-9-10-16-15(11-12)13-6-4-8-18(19(13)22-16)23-21(26)20-14-5-2-3-7-17(14)24-25-20/h2-3,5,7,9-11,18,22H,4,6,8H2,1H3,(H,23,26)(H,24,25)
InChIKeyZYZUGDXYHJPDLJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.86
Rot. Bonds3

About N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide (PubChem CID 75490269) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
PubChem CID75490269
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C21H20N4O2/c1-27-12-9-10-16-15(11-12)13-6-4-8-18(19(13)22-16)23-21(26)20-14-5-2-3-7-17(14)24-25-20/h2-3,5,7,9-11,18,22H,4,6,8H2,1H3,(H,23,26)(H,24,25)
InChIKeyZYZUGDXYHJPDLJ-UHFFFAOYSA-N
XLogP3.86
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide (CID 75490269) is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide is COc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide?
The InChIKey is ZYZUGDXYHJPDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-27-12-9-10-16-15(11-12)13-6-4-8-18(19(13)22-16)23-21(26)20-14-5-2-3-7-17(14)24-25-20/h2-3,5,7,9-11,18,22H,4,6,8H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide?
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 75490269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).