N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride

C22H33ClN4O3 — CID 140718627

IUPACN-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCOCCCn1nc(C)c2ccc([C@@H](C)N(C(=O)C3CNCCO3)C3CC3)cc21.Cl
InChIInChI=1S/C22H32N4O3.ClH/c1-15-19-8-5-17(13-20(19)25(24-15)10-4-11-28-3)16(2)26(18-6-7-18)22(27)21-14-23-9-12-29-21;/h5,8,13,16,18,21,23H,4,6-7,9-12,14H2,1-3H3;1H/t16-,21?;/m1./s1
InChIKeyLFWZKLOMPCSKJO-DHYQBIDMSA-N
MW436.98 g/mol
LogP2.84
Rot. Bonds8

About N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride

N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 140718627) has the molecular formula C22H33ClN4O3 and a molecular weight of 436.98 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID140718627
Molecular FormulaC22H33ClN4O3
Molecular Weight436.98 g/mol
Exact Mass436.22
IUPAC NameN-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCOCCCn1nc(C)c2ccc([C@@H](C)N(C(=O)C3CNCCO3)C3CC3)cc21.Cl
InChIInChI=1S/C22H32N4O3.ClH/c1-15-19-8-5-17(13-20(19)25(24-15)10-4-11-28-3)16(2)26(18-6-7-18)22(27)21-14-23-9-12-29-21;/h5,8,13,16,18,21,23H,4,6-7,9-12,14H2,1-3H3;1H/t16-,21?;/m1./s1
InChIKeyLFWZKLOMPCSKJO-DHYQBIDMSA-N
XLogP2.84
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.98
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 140718628
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
(2R)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-3-(3-methoxypropoxy)phenyl]ethyl]morpholine-2-carboxamide
CID 118313065
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 118313069
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-cyclopropyl-N-[(1R)-1-[6-methyl-1-[3-(methylcarbamoylamino)propyl]indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 73437725
(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-[(1R)-1-[6-ethyl-5-(4-methoxybutyl)-3-pyridinyl]ethyl]morpholine-2-carboxamide
CID 118313115
(2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 90065183
N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 59494659
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide
CID 90065226

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride (CID 140718627) is N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride is COCCCn1nc(C)c2ccc([C@@H](C)N(C(=O)C3CNCCO3)C3CC3)cc21.Cl.
What is the InChIKey of N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is LFWZKLOMPCSKJO-DHYQBIDMSA-N. The full InChI is InChI=1S/C22H32N4O3.ClH/c1-15-19-8-5-17(13-20(19)25(24-15)10-4-11-28-3)16(2)26(18-6-7-18)22(27)21-14-23-9-12-29-21;/h5,8,13,16,18,21,23H,4,6-7,9-12,14H2,1-3H3;1H/t16-,21?;/m1./s1.
What are the key properties of N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 436.98 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 140718627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).