(2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide

C24H40N6O2 — CID 90065249

IUPAC(2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide
SMILESCNCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c1CC(CN(C)C)C=C2
InChIInChI=1S/C24H40N6O2/c1-17(30(19-7-8-19)24(31)22-15-26-11-13-32-22)23-20-9-6-18(16-28(3)4)14-21(20)29(27-23)12-5-10-25-2/h6,9,17-19,22,25-26H,5,7-8,10-16H2,1-4H3/t17-,18?,22-/m1/s1
InChIKeyPUMTWZMMMXZUDM-BHHNILQKSA-N
MW444.62 g/mol
LogP1.28
Rot. Bonds10

About (2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide (PubChem CID 90065249) has the molecular formula C24H40N6O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide
PubChem CID90065249
Molecular FormulaC24H40N6O2
Molecular Weight444.62 g/mol
Exact Mass444.32
IUPAC Name(2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide
SMILESCNCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c1CC(CN(C)C)C=C2
InChIInChI=1S/C24H40N6O2/c1-17(30(19-7-8-19)24(31)22-15-26-11-13-32-22)23-20-9-6-18(16-28(3)4)14-21(20)29(27-23)12-5-10-25-2/h6,9,17-19,22,25-26H,5,7-8,10-16H2,1-4H3/t17-,18?,22-/m1/s1
InChIKeyPUMTWZMMMXZUDM-BHHNILQKSA-N
XLogP1.28
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide (CID 90065249) is (2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide is CNCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c1CC(CN(C)C)C=C2.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is PUMTWZMMMXZUDM-BHHNILQKSA-N. The full InChI is InChI=1S/C24H40N6O2/c1-17(30(19-7-8-19)24(31)22-15-26-11-13-32-22)23-20-9-6-18(16-28(3)4)14-21(20)29(27-23)12-5-10-25-2/h6,9,17-19,22,25-26H,5,7-8,10-16H2,1-4H3/t17-,18?,22-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 444.62 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-[3-(methylamino)propyl]-6,7-dihydroindazol-3-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 90065249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).