(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide

C23H34N4O3 — CID 66551837

IUPAC(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide
SMILESCOCCCn1nc(C)c2c(C)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C23H34N4O3/c1-15-12-18(13-20-22(15)16(2)25-26(20)9-5-10-29-4)17(3)27(19-6-7-19)23(28)21-14-24-8-11-30-21/h12-13,17,19,21,24H,5-11,14H2,1-4H3/t17-,21-/m1/s1
InChIKeyATIYWRISKBUSRA-DYESRHJHSA-N
MW414.55 g/mol
LogP2.73
Rot. Bonds8

About (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide (PubChem CID 66551837) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide
PubChem CID66551837
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide
SMILESCOCCCn1nc(C)c2c(C)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C23H34N4O3/c1-15-12-18(13-20-22(15)16(2)25-26(20)9-5-10-29-4)17(3)27(19-6-7-19)23(28)21-14-24-8-11-30-21/h12-13,17,19,21,24H,5-11,14H2,1-4H3/t17-,21-/m1/s1
InChIKeyATIYWRISKBUSRA-DYESRHJHSA-N
XLogP2.73
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.73
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-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide (CID 66551837) is (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide is COCCCn1nc(C)c2c(C)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is ATIYWRISKBUSRA-DYESRHJHSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-15-12-18(13-20-22(15)16(2)25-26(20)9-5-10-29-4)17(3)27(19-6-7-19)23(28)21-14-24-8-11-30-21/h12-13,17,19,21,24H,5-11,14H2,1-4H3/t17-,21-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.73, 8 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-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 66551837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).