(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide

C26H32N4O3 — CID 59494309

IUPAC(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2c(-c3ccccc3)ccnc21
InChIInChI=1S/C26H32N4O3/c1-32-14-5-13-29-17-20(18-30(21-8-9-21)26(31)23-16-27-12-15-33-23)24-22(10-11-28-25(24)29)19-6-3-2-4-7-19/h2-4,6-7,10-11,17,21,23,27H,5,8-9,12-16,18H2,1H3/t23-/m1/s1
InChIKeyQAFYKFAILNUYCZ-HSZRJFAPSA-N
MW448.57 g/mol
LogP3.22
Rot. Bonds9

About (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide (PubChem CID 59494309) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide
PubChem CID59494309
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2c(-c3ccccc3)ccnc21
InChIInChI=1S/C26H32N4O3/c1-32-14-5-13-29-17-20(18-30(21-8-9-21)26(31)23-16-27-12-15-33-23)24-22(10-11-28-25(24)29)19-6-3-2-4-7-19/h2-4,6-7,10-11,17,21,23,27H,5,8-9,12-16,18H2,1H3/t23-/m1/s1
InChIKeyQAFYKFAILNUYCZ-HSZRJFAPSA-N
XLogP3.22
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide (CID 59494309) is (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide is COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2c(-c3ccccc3)ccnc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide?
The InChIKey is QAFYKFAILNUYCZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-32-14-5-13-29-17-20(18-30(21-8-9-21)26(31)23-16-27-12-15-33-23)24-22(10-11-28-25(24)29)19-6-3-2-4-7-19/h2-4,6-7,10-11,17,21,23,27H,5,8-9,12-16,18H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.22, 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-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 59494309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).