(2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide

C24H35N3O4 — CID 146865417

IUPAC(2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
SMILESCOCCCCn1cc([C@H](C)N(C(=O)[C@H]2CCCCO2)C2CC2)c2nccc(OC)c21
InChIInChI=1S/C24H35N3O4/c1-17(27(18-9-10-18)24(28)21-8-4-6-15-31-21)19-16-26(13-5-7-14-29-2)23-20(30-3)11-12-25-22(19)23/h11-12,16-18,21H,4-10,13-15H2,1-3H3/t17-,21+/m0/s1
InChIKeySLTNXPDWLAUEPQ-LAUBAEHRSA-N
MW429.56 g/mol
LogP4.09
Rot. Bonds10

About (2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide

(2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide (PubChem CID 146865417) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
PubChem CID146865417
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name(2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide
SMILESCOCCCCn1cc([C@H](C)N(C(=O)[C@H]2CCCCO2)C2CC2)c2nccc(OC)c21
InChIInChI=1S/C24H35N3O4/c1-17(27(18-9-10-18)24(28)21-8-4-6-15-31-21)19-16-26(13-5-7-14-29-2)23-20(30-3)11-12-25-22(19)23/h11-12,16-18,21H,4-10,13-15H2,1-3H3/t17-,21+/m0/s1
InChIKeySLTNXPDWLAUEPQ-LAUBAEHRSA-N
XLogP4.09
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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-[1-(4-methoxybutyl)-7-methylindazol-3-yl]ethyl]oxane-2-carboxamide
CID 158609979
(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-[(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
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-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide
CID 90065226
tert-butyl (2R)-2-[cyclopropyl-[[1-(3-methoxypropyl)-7-methylpyrrolo[3,2-b]pyridin-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494863
(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
methyl N-[3-[1-cyclohexyl-3-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]pyrazol-5-yl]propyl]carbamate
CID 160884849
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide (CID 146865417) is (2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide is COCCCCn1cc([C@H](C)N(C(=O)[C@H]2CCCCO2)C2CC2)c2nccc(OC)c21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide?
The InChIKey is SLTNXPDWLAUEPQ-LAUBAEHRSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-17(27(18-9-10-18)24(28)21-8-4-6-15-31-21)19-16-26(13-5-7-14-29-2)23-20(30-3)11-12-25-22(19)23/h11-12,16-18,21H,4-10,13-15H2,1-3H3/t17-,21+/m0/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1S)-1-[7-methoxy-1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]oxane-2-carboxamide is sourced from PubChem (CID 146865417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).