(2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide

C23H35N5O3 — CID 118313887

IUPAC(2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide
SMILESCCc1nc([C@@H](C)N(C(=O)[C@H]2CN[C@@H](C)CO2)C2CC2)cc2c1ncn2CCCOC
InChIInChI=1S/C23H35N5O3/c1-5-18-22-20(27(14-25-22)9-6-10-30-4)11-19(26-18)16(3)28(17-7-8-17)23(29)21-12-24-15(2)13-31-21/h11,14-17,21,24H,5-10,12-13H2,1-4H3/t15-,16+,21+/m0/s1
InChIKeyPBMHAEFNMUIGPY-GCKMJXCFSA-N
MW429.57 g/mol
LogP2.46
Rot. Bonds9

About (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide

(2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide (PubChem CID 118313887) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide
PubChem CID118313887
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name(2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide
SMILESCCc1nc([C@@H](C)N(C(=O)[C@H]2CN[C@@H](C)CO2)C2CC2)cc2c1ncn2CCCOC
InChIInChI=1S/C23H35N5O3/c1-5-18-22-20(27(14-25-22)9-6-10-30-4)11-19(26-18)16(3)28(17-7-8-17)23(29)21-12-24-15(2)13-31-21/h11,14-17,21,24H,5-10,12-13H2,1-4H3/t15-,16+,21+/m0/s1
InChIKeyPBMHAEFNMUIGPY-GCKMJXCFSA-N
XLogP2.46
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[1-[1-(3-methoxypropyl)-3,4-dimethylpyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 118910663
(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-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 90065183
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 118313069
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide
CID 90065226
(2R)-N-cyclopropyl-N-[(1R)-1-[6-ethyl-5-(4-methoxybutyl)-3-pyridinyl]ethyl]morpholine-2-carboxamide
CID 118313115
(2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 118313130
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
(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-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
CID 160701911
(2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
CID 146865417

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide (CID 118313887) is (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide is CCc1nc([C@@H](C)N(C(=O)[C@H]2CN[C@@H](C)CO2)C2CC2)cc2c1ncn2CCCOC.
What is the InChIKey of (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide?
The InChIKey is PBMHAEFNMUIGPY-GCKMJXCFSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-5-18-22-20(27(14-25-22)9-6-10-30-4)11-19(26-18)16(3)28(17-7-8-17)23(29)21-12-24-15(2)13-31-21/h11,14-17,21,24H,5-10,12-13H2,1-4H3/t15-,16+,21+/m0/s1.
What are the key properties of (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide?
(2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-1-(3-methoxypropyl)imidazo[4,5-c]pyridin-6-yl]ethyl]-5-methylmorpholine-2-carboxamide is sourced from PubChem (CID 118313887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).