(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).