6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide

C24H27N5O2 — CID 167375733

IUPAC6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
SMILES[C-]#[N+]c1cccc(C(=O)Nc2cc3cn(C4CCC(C(C)C)CC4)nc3cc2OC)n1
InChIInChI=1S/C24H27N5O2/c1-15(2)16-8-10-18(11-9-16)29-14-17-12-21(22(31-4)13-20(17)28-29)27-24(30)19-6-5-7-23(25-3)26-19/h5-7,12-16,18H,8-11H2,1-2,4H3,(H,27,30)
InChIKeyZTXGVRMSVNWJFV-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.63
Rot. Bonds5

About 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide

6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 167375733) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID167375733
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
SMILES[C-]#[N+]c1cccc(C(=O)Nc2cc3cn(C4CCC(C(C)C)CC4)nc3cc2OC)n1
InChIInChI=1S/C24H27N5O2/c1-15(2)16-8-10-18(11-9-16)29-14-17-12-21(22(31-4)13-20(17)28-29)27-24(30)19-6-5-7-23(25-3)26-19/h5-7,12-16,18H,8-11H2,1-2,4H3,(H,27,30)
InChIKeyZTXGVRMSVNWJFV-UHFFFAOYSA-N
XLogP5.63
TPSA73.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 155449126
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 155448904
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 155448924
4-chloro-N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]benzamide
CID 155449238
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
CID 137377513
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046

Frequently Asked Questions

What is the IUPAC name of 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide (CID 167375733) is 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide is [C-]#[N+]c1cccc(C(=O)Nc2cc3cn(C4CCC(C(C)C)CC4)nc3cc2OC)n1.
What is the InChIKey of 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is ZTXGVRMSVNWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15(2)16-8-10-18(11-9-16)29-14-17-12-21(22(31-4)13-20(17)28-29)27-24(30)19-6-5-7-23(25-3)26-19/h5-7,12-16,18H,8-11H2,1-2,4H3,(H,27,30).
What are the key properties of 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167375733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).