4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide

C23H27N3O3 — CID 129300805

IUPAC4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide
SMILESO=Cn1cc2c(n1)CCC(N(C(=O)c1ccc(OCC3CCC3)cc1)C1CC1)C2
InChIInChI=1S/C23H27N3O3/c27-15-25-13-18-12-20(8-11-22(18)24-25)26(19-6-7-19)23(28)17-4-9-21(10-5-17)29-14-16-2-1-3-16/h4-5,9-10,13,15-16,19-20H,1-3,6-8,11-12,14H2
InChIKeyLUJRFHCQRVZOTK-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.26
Rot. Bonds7

About 4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide

4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide (PubChem CID 129300805) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide
PubChem CID129300805
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide
SMILESO=Cn1cc2c(n1)CCC(N(C(=O)c1ccc(OCC3CCC3)cc1)C1CC1)C2
InChIInChI=1S/C23H27N3O3/c27-15-25-13-18-12-20(8-11-22(18)24-25)26(19-6-7-19)23(28)17-4-9-21(10-5-17)29-14-16-2-1-3-16/h4-5,9-10,13,15-16,19-20H,1-3,6-8,11-12,14H2
InChIKeyLUJRFHCQRVZOTK-UHFFFAOYSA-N
XLogP3.26
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90378315
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
tert-butyl 5-[cyclopropyl-[4-(trifluoromethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378302
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378325
4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680730
benzyl 5-[cyclopropyl-(4-nitrosobenzoyl)amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378362
N-[(2R)-5-[(cyclopentylmethylamino)methyl]-2,3-dihydro-1H-inden-2-yl]-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 58062327
tert-butyl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379245
N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90382008
(E)-3-[4-(cyclohexylmethoxy)phenyl]-1-cyclopropylprop-2-en-1-one
CID 19885168
tert-butyl 5-[cyclopropyl-[4-[2-(hydroxymethyl)phenyl]benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90370102

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide?
The IUPAC name of 4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide (CID 129300805) is 4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide.
What is the SMILES notation for 4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide?
The canonical SMILES for 4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide is O=Cn1cc2c(n1)CCC(N(C(=O)c1ccc(OCC3CCC3)cc1)C1CC1)C2.
What is the InChIKey of 4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide?
The InChIKey is LUJRFHCQRVZOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-15-25-13-18-12-20(8-11-22(18)24-25)26(19-6-7-19)23(28)17-4-9-21(10-5-17)29-14-16-2-1-3-16/h4-5,9-10,13,15-16,19-20H,1-3,6-8,11-12,14H2.
What are the key properties of 4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide?
4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-N-cyclopropyl-N-(2-formyl-4,5,6,7-tetrahydroindazol-5-yl)benzamide is sourced from PubChem (CID 129300805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).