(2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide

C22H31FN4O3 — CID 73437781

IUPAC(2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
SMILESCOCCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(F)cc21
InChIInChI=1S/C22H31FN4O3/c1-15(27(17-6-7-17)22(28)20-14-24-9-12-30-20)21-18-8-5-16(23)13-19(18)26(25-21)10-3-4-11-29-2/h5,8,13,15,17,20,24H,3-4,6-7,9-12,14H2,1-2H3/t15-,20-/m1/s1
InChIKeyXTQLHLBHSIXYPB-FOIQADDNSA-N
MW418.51 g/mol
LogP2.64
Rot. Bonds9

About (2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide (PubChem CID 73437781) has the molecular formula C22H31FN4O3 and a molecular weight of 418.51 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
PubChem CID73437781
Molecular FormulaC22H31FN4O3
Molecular Weight418.51 g/mol
Exact Mass418.24
IUPAC Name(2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
SMILESCOCCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(F)cc21
InChIInChI=1S/C22H31FN4O3/c1-15(27(17-6-7-17)22(28)20-14-24-9-12-30-20)21-18-8-5-16(23)13-19(18)26(25-21)10-3-4-11-29-2/h5,8,13,15,17,20,24H,3-4,6-7,9-12,14H2,1-2H3/t15-,20-/m1/s1
InChIKeyXTQLHLBHSIXYPB-FOIQADDNSA-N
XLogP2.64
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide (CID 73437781) is (2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide is COCCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(F)cc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is XTQLHLBHSIXYPB-FOIQADDNSA-N. The full InChI is InChI=1S/C22H31FN4O3/c1-15(27(17-6-7-17)22(28)20-14-24-9-12-30-20)21-18-8-5-16(23)13-19(18)26(25-21)10-3-4-11-29-2/h5,8,13,15,17,20,24H,3-4,6-7,9-12,14H2,1-2H3/t15-,20-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 418.51 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1R)-1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 73437781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).