2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide

C20H23N5O3 — CID 155437859

IUPAC2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide
SMILESCOc1cc2nn(C3CCC(C=O)CC3)cc2cc1N1NC=CC=C1C(N)=O
InChIInChI=1S/C20H23N5O3/c1-28-19-10-16-14(9-18(19)25-17(20(21)27)3-2-8-22-25)11-24(23-16)15-6-4-13(12-26)5-7-15/h2-3,8-13,15,22H,4-7H2,1H3,(H2,21,27)
InChIKeyMUVGSYVJWJHWAK-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.18
Rot. Bonds5

About 2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide

2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide (PubChem CID 155437859) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide
PubChem CID155437859
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide
SMILESCOc1cc2nn(C3CCC(C=O)CC3)cc2cc1N1NC=CC=C1C(N)=O
InChIInChI=1S/C20H23N5O3/c1-28-19-10-16-14(9-18(19)25-17(20(21)27)3-2-8-22-25)11-24(23-16)15-6-4-13(12-26)5-7-15/h2-3,8-13,15,22H,4-7H2,1H3,(H2,21,27)
InChIKeyMUVGSYVJWJHWAK-UHFFFAOYSA-N
XLogP2.18
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
CID 155437502
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide
CID 163283437
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide
CID 175556077
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide
CID 170693376
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide
CID 155438131
6-methoxy-2-(4-methylcyclohexyl)indazol-5-amine
CID 170092685
[4-[6-methoxy-5-(2H-pyrazolo[1,5-a]pyrimidin-1-yl)indazol-2-yl]cyclohexyl]methanol
CID 163362486
[4-(5-amino-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437469
[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
CID 170227743
4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde
CID 163362497
4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde
CID 175693148

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide (CID 155437859) is 2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide is COc1cc2nn(C3CCC(C=O)CC3)cc2cc1N1NC=CC=C1C(N)=O.
What is the InChIKey of 2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide?
The InChIKey is MUVGSYVJWJHWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-28-19-10-16-14(9-18(19)25-17(20(21)27)3-2-8-22-25)11-24(23-16)15-6-4-13(12-26)5-7-15/h2-3,8-13,15,22H,4-7H2,1H3,(H2,21,27).
What are the key properties of 2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide?
2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 155437859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).