(2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide

C23H34N6O3 — CID 73437725

IUPAC(2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide
SMILESCNC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)cc21
InChIInChI=1S/C23H34N6O3/c1-15-5-8-18-19(13-15)28(11-4-9-26-23(31)24-3)27-21(18)16(2)29(17-6-7-17)22(30)20-14-25-10-12-32-20/h5,8,13,16-17,20,25H,4,6-7,9-12,14H2,1-3H3,(H2,24,26,31)/t16-,20-/m1/s1
InChIKeyBUOYAYFNXAKOFZ-OXQOHEQNSA-N
MW442.56 g/mol
LogP1.70
Rot. Bonds8

About (2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide (PubChem CID 73437725) has the molecular formula C23H34N6O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide
PubChem CID73437725
Molecular FormulaC23H34N6O3
Molecular Weight442.56 g/mol
Exact Mass442.27
IUPAC Name(2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide
SMILESCNC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)cc21
InChIInChI=1S/C23H34N6O3/c1-15-5-8-18-19(13-15)28(11-4-9-26-23(31)24-3)27-21(18)16(2)29(17-6-7-17)22(30)20-14-25-10-12-32-20/h5,8,13,16-17,20,25H,4,6-7,9-12,14H2,1-3H3,(H2,24,26,31)/t16-,20-/m1/s1
InChIKeyBUOYAYFNXAKOFZ-OXQOHEQNSA-N
XLogP1.70
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-2-(4-methylphenyl)imidazol-1-yl]propyl]carbamate
CID 118313141
methyl N-[3-[2-(4-chlorophenyl)-4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]imidazol-1-yl]propyl]carbamate
CID 118313147
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
(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-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate
CID 118313239
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-[3-(4-methoxybutyl)-5-methylphenyl]ethyl]morpholine-2-carboxamide
CID 90065098
(2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 90065180
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide
CID 158609979

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide (CID 73437725) is (2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide is CNC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)cc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is BUOYAYFNXAKOFZ-OXQOHEQNSA-N. The full InChI is InChI=1S/C23H34N6O3/c1-15-5-8-18-19(13-15)28(11-4-9-26-23(31)24-3)27-21(18)16(2)29(17-6-7-17)22(30)20-14-25-10-12-32-20/h5,8,13,16-17,20,25H,4,6-7,9-12,14H2,1-3H3,(H2,24,26,31)/t16-,20-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 73437725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).