(2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

C25H38N4O4 — CID 90065180

IUPAC(2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOCCCc1cn(CCCOC)c2cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)ncc12
InChIInChI=1S/C25H38N4O4/c1-18(29(20-7-8-20)25(30)24-16-26-9-13-33-24)22-14-23-21(15-27-22)19(6-4-11-31-2)17-28(23)10-5-12-32-3/h14-15,17-18,20,24,26H,4-13,16H2,1-3H3/t18-,24-/m1/s1
InChIKeyOITLCTCHRDDMMV-HOYKHHGWSA-N
MW458.60 g/mol
LogP2.69
Rot. Bonds12

About (2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 90065180) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID90065180
Molecular FormulaC25H38N4O4
Molecular Weight458.60 g/mol
Exact Mass458.29
IUPAC Name(2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOCCCc1cn(CCCOC)c2cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)ncc12
InChIInChI=1S/C25H38N4O4/c1-18(29(20-7-8-20)25(30)24-16-26-9-13-33-24)22-14-23-21(15-27-22)19(6-4-11-31-2)17-28(23)10-5-12-32-3/h14-15,17-18,20,24,26H,4-13,16H2,1-3H3/t18-,24-/m1/s1
InChIKeyOITLCTCHRDDMMV-HOYKHHGWSA-N
XLogP2.69
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[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
(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-[6-ethyl-5-(4-methoxybutyl)-3-pyridinyl]ethyl]morpholine-2-carboxamide
CID 118313115
methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-1-[3-[1-[2-[5-[(2R)-2-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]propanimidoyl]-6-[3-(hydroxyamino)propylamino]-2-pyridinyl]cyclopropyl]ethoxy]propyl]pyrrolo[3,2-c]pyridin-3-yl]propyl]carbamate
CID 90065195
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-[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-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide
CID 90065007
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(4-methoxybutyl)-5-methylphenyl]ethyl]morpholine-2-carboxamide
CID 90065098

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (CID 90065180) is (2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is COCCCc1cn(CCCOC)c2cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)ncc12.
What is the InChIKey of (2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is OITLCTCHRDDMMV-HOYKHHGWSA-N. The full InChI is InChI=1S/C25H38N4O4/c1-18(29(20-7-8-20)25(30)24-16-26-9-13-33-24)22-14-23-21(15-27-22)19(6-4-11-31-2)17-28(23)10-5-12-32-3/h14-15,17-18,20,24,26H,4-13,16H2,1-3H3/t18-,24-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 2.69, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 90065180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).