(2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide

C24H35N3O3 — CID 158609979

IUPAC(2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide
SMILESCOCCCCn1nc([C@H](C)N(C(=O)[C@H]2CCCCO2)C2CC2)c2cccc(C)c21
InChIInChI=1S/C24H35N3O3/c1-17-9-8-10-20-22(25-26(23(17)20)14-5-7-15-29-3)18(2)27(19-12-13-19)24(28)21-11-4-6-16-30-21/h8-10,18-19,21H,4-7,11-16H2,1-3H3/t18-,21+/m0/s1
InChIKeyHWSCQZHRYXMGFU-GHTZIAJQSA-N
MW413.56 g/mol
LogP4.39
Rot. Bonds9

About (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide

(2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide (PubChem CID 158609979) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide
PubChem CID158609979
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name(2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide
SMILESCOCCCCn1nc([C@H](C)N(C(=O)[C@H]2CCCCO2)C2CC2)c2cccc(C)c21
InChIInChI=1S/C24H35N3O3/c1-17-9-8-10-20-22(25-26(23(17)20)14-5-7-15-29-3)18(2)27(19-12-13-19)24(28)21-11-4-6-16-30-21/h8-10,18-19,21H,4-7,11-16H2,1-3H3/t18-,21+/m0/s1
InChIKeyHWSCQZHRYXMGFU-GHTZIAJQSA-N
XLogP4.39
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide with MolForge

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Related Compounds

(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
CID 160701911
(2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
CID 146865417
methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]-5-(2-phenylpropan-2-yl)pyrazol-1-yl]propyl]carbamate
CID 147403284
N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 140718628
N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 140718627
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 118313069
methyl N-[3-[1-cyclohexyl-3-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]pyrazol-5-yl]propyl]carbamate
CID 160884849
N-cyclopropyl-N-[1-[1-(3-methoxypropyl)-3,4-dimethylpyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 118910663
(2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 73437725
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate
CID 73437906
methyl N-[3-[2-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)-1,3-thiazol-4-yl]propyl]carbamate
CID 158088246

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide (CID 158609979) is (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide is COCCCCn1nc([C@H](C)N(C(=O)[C@H]2CCCCO2)C2CC2)c2cccc(C)c21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide?
The InChIKey is HWSCQZHRYXMGFU-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-17-9-8-10-20-22(25-26(23(17)20)14-5-7-15-29-3)18(2)27(19-12-13-19)24(28)21-11-4-6-16-30-21/h8-10,18-19,21H,4-7,11-16H2,1-3H3/t18-,21+/m0/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide is sourced from PubChem (CID 158609979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).