(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide

C21H27F3N4O3 — CID 59494949

IUPAC(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1nc(C(F)(F)F)c2ccc(CN(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C21H27F3N4O3/c1-30-9-2-8-28-17-11-14(3-6-16(17)19(26-28)21(22,23)24)13-27(15-4-5-15)20(29)18-12-25-7-10-31-18/h3,6,11,15,18,25H,2,4-5,7-10,12-13H2,1H3/t18-/m1/s1
InChIKeyFITOZGVOLRSZEJ-GOSISDBHSA-N
MW440.47 g/mol
LogP2.57
Rot. Bonds8

About (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide (PubChem CID 59494949) has the molecular formula C21H27F3N4O3 and a molecular weight of 440.47 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide
PubChem CID59494949
Molecular FormulaC21H27F3N4O3
Molecular Weight440.47 g/mol
Exact Mass440.20
IUPAC Name(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1nc(C(F)(F)F)c2ccc(CN(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C21H27F3N4O3/c1-30-9-2-8-28-17-11-14(3-6-16(17)19(26-28)21(22,23)24)13-27(15-4-5-15)20(29)18-12-25-7-10-31-18/h3,6,11,15,18,25H,2,4-5,7-10,12-13H2,1H3/t18-/m1/s1
InChIKeyFITOZGVOLRSZEJ-GOSISDBHSA-N
XLogP2.57
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 52.57
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-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide (CID 59494949) is (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide is COCCCn1nc(C(F)(F)F)c2ccc(CN(C(=O)[C@H]3CNCCO3)C3CC3)cc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide?
The InChIKey is FITOZGVOLRSZEJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27F3N4O3/c1-30-9-2-8-28-17-11-14(3-6-16(17)19(26-28)21(22,23)24)13-27(15-4-5-15)20(29)18-12-25-7-10-31-18/h3,6,11,15,18,25H,2,4-5,7-10,12-13H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 2.57, 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-[[1-(3-methoxypropyl)-3-(trifluoromethyl)indazol-6-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 59494949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).