N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride

C24H30ClN5O3 — CID 11511166

IUPACN-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCOCC1)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H29N5O3.ClH/c30-24(25-5-6-28-7-11-31-12-8-28)22-17-27-23-21(22)15-19(16-26-23)18-1-3-20(4-2-18)29-9-13-32-14-10-29;/h1-4,15-17H,5-14H2,(H,25,30)(H,26,27);1H
InChIKeyGLJHFOBNGHWZKT-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.55
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride

N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride (PubChem CID 11511166) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride
PubChem CID11511166
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC NameN-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCOCC1)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H29N5O3.ClH/c30-24(25-5-6-28-7-11-31-12-8-28)22-17-27-23-21(22)15-19(16-26-23)18-1-3-20(4-2-18)29-9-13-32-14-10-29;/h1-4,15-17H,5-14H2,(H,25,30)(H,26,27);1H
InChIKeyGLJHFOBNGHWZKT-UHFFFAOYSA-N
XLogP2.55
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride (CID 11511166) is N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride is Cl.O=C(NCCN1CCOCC1)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride?
The InChIKey is GLJHFOBNGHWZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3.ClH/c30-24(25-5-6-28-7-11-31-12-8-28)22-17-27-23-21(22)15-19(16-26-23)18-1-3-20(4-2-18)29-9-13-32-14-10-29;/h1-4,15-17H,5-14H2,(H,25,30)(H,26,27);1H.
What are the key properties of N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride?
N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride has a molecular weight of 471.99 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 11511166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).