N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide

C21H27N3O4 — CID 163283437

IUPACN-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide
SMILESCOc1cc2nn(C3CCC(C=O)CC3)cc2cc1NC(=O)C1CCCCO1
InChIInChI=1S/C21H27N3O4/c1-27-20-11-17-15(10-18(20)22-21(26)19-4-2-3-9-28-19)12-24(23-17)16-7-5-14(13-25)6-8-16/h10-14,16,19H,2-9H2,1H3,(H,22,26)
InChIKeyFCBXQUTZMSRKJM-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide

N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide (PubChem CID 163283437) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide
PubChem CID163283437
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide
SMILESCOc1cc2nn(C3CCC(C=O)CC3)cc2cc1NC(=O)C1CCCCO1
InChIInChI=1S/C21H27N3O4/c1-27-20-11-17-15(10-18(20)22-21(26)19-4-2-3-9-28-19)12-24(23-17)16-7-5-14(13-25)6-8-16/h10-14,16,19H,2-9H2,1H3,(H,22,26)
InChIKeyFCBXQUTZMSRKJM-UHFFFAOYSA-N
XLogP3.48
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
CID 155449467
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
CID 155437502
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 137377583
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
CID 155751873
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
CID 170240298
(E)-[(3Z)-hexa-3,5-dien-2-ylidene]-hydroxy-[[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]carbamoyl]azanium
CID 170361041
2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide
CID 155437859
4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide
CID 155449171
4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde
CID 175693148
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyrimidine-4-carboxamide
CID 155448826

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide?
The IUPAC name of N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide (CID 163283437) is N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide.
What is the SMILES notation for N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide?
The canonical SMILES for N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide is COc1cc2nn(C3CCC(C=O)CC3)cc2cc1NC(=O)C1CCCCO1.
What is the InChIKey of N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide?
The InChIKey is FCBXQUTZMSRKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-27-20-11-17-15(10-18(20)22-21(26)19-4-2-3-9-28-19)12-24(23-17)16-7-5-14(13-25)6-8-16/h10-14,16,19H,2-9H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide?
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide is sourced from PubChem (CID 163283437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).