6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide

C22H22N6O2 — CID 90378103

IUPAC6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide
SMILES[N-]=[N+]=NCOc1ccc2cc(C(=O)N(C3CC3)C3CCc4[nH]ncc4C3)ccc2c1
InChIInChI=1S/C22H22N6O2/c23-27-25-13-30-20-7-3-14-9-16(2-1-15(14)11-20)22(29)28(18-4-5-18)19-6-8-21-17(10-19)12-24-26-21/h1-3,7,9,11-12,18-19H,4-6,8,10,13H2,(H,24,26)
InChIKeyUIQMTOORELBOGR-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.37
Rot. Bonds6

About 6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide

6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide (PubChem CID 90378103) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide
PubChem CID90378103
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide
SMILES[N-]=[N+]=NCOc1ccc2cc(C(=O)N(C3CC3)C3CCc4[nH]ncc4C3)ccc2c1
InChIInChI=1S/C22H22N6O2/c23-27-25-13-30-20-7-3-14-9-16(2-1-15(14)11-20)22(29)28(18-4-5-18)19-6-8-21-17(10-19)12-24-26-21/h1-3,7,9,11-12,18-19H,4-6,8,10,13H2,(H,24,26)
InChIKeyUIQMTOORELBOGR-UHFFFAOYSA-N
XLogP4.37
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide (CID 90378103) is 6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide is [N-]=[N+]=NCOc1ccc2cc(C(=O)N(C3CC3)C3CCc4[nH]ncc4C3)ccc2c1.
What is the InChIKey of 6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide?
The InChIKey is UIQMTOORELBOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c23-27-25-13-30-20-7-3-14-9-16(2-1-15(14)11-20)22(29)28(18-4-5-18)19-6-8-21-17(10-19)12-24-26-21/h1-3,7,9,11-12,18-19H,4-6,8,10,13H2,(H,24,26).
What are the key properties of 6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide?
6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 90378103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).