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

C24H34N4O3 — CID 90065183

IUPAC(2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
SMILESCOCCCn1cc(C2CC2)c2cnc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C24H34N4O3/c1-16(28(18-6-7-18)24(29)23-14-25-8-11-31-23)21-12-22-19(13-26-21)20(17-4-5-17)15-27(22)9-3-10-30-2/h12-13,15-18,23,25H,3-11,14H2,1-2H3/t16-,23-/m1/s1
InChIKeyJVLJGXIRKJDGHB-WAIKUNEKSA-N
MW426.56 g/mol
LogP2.99
Rot. Bonds9

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

(2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide (PubChem CID 90065183) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
PubChem CID90065183
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name(2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
SMILESCOCCCn1cc(C2CC2)c2cnc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C24H34N4O3/c1-16(28(18-6-7-18)24(29)23-14-25-8-11-31-23)21-12-22-19(13-26-21)20(17-4-5-17)15-27(22)9-3-10-30-2/h12-13,15-18,23,25H,3-11,14H2,1-2H3/t16-,23-/m1/s1
InChIKeyJVLJGXIRKJDGHB-WAIKUNEKSA-N
XLogP2.99
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide (CID 90065183) is (2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide is COCCCn1cc(C2CC2)c2cnc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is JVLJGXIRKJDGHB-WAIKUNEKSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-16(28(18-6-7-18)24(29)23-14-25-8-11-31-23)21-12-22-19(13-26-21)20(17-4-5-17)15-27(22)9-3-10-30-2/h12-13,15-18,23,25H,3-11,14H2,1-2H3/t16-,23-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1R)-1-[3-cyclopropyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 90065183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).