ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone

C25H26N4O2 — CID 142527683

IUPACethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone
SMILESCC.O=C(c1ccccn1)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C23H20N4O2.C2H6/c28-22(21-3-1-2-8-24-21)20-15-26-23-19(20)13-17(14-25-23)16-4-6-18(7-5-16)27-9-11-29-12-10-27;1-2/h1-8,13-15H,9-12H2,(H,25,26);1-2H3
InChIKeyFCLFQBLZXUKFQB-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.72
Rot. Bonds4

About ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone

ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone (PubChem CID 142527683) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Nameethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone
PubChem CID142527683
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Nameethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone
SMILESCC.O=C(c1ccccn1)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C23H20N4O2.C2H6/c28-22(21-3-1-2-8-24-21)20-15-26-23-19(20)13-17(14-25-23)16-4-6-18(7-5-16)27-9-11-29-12-10-27;1-2/h1-8,13-15H,9-12H2,(H,25,26);1-2H3
InChIKeyFCLFQBLZXUKFQB-UHFFFAOYSA-N
XLogP4.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride
CID 11511166
N-[(1S)-1-(3-methylphenyl)ethyl]-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 170408812
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 25176838
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 121339271
[5-[2-(aminomethyl)-4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone
CID 154939400
N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline
CID 59811898
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
(2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 71219030
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717

Frequently Asked Questions

What is the IUPAC name of ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone (CID 142527683) is ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone is CC.O=C(c1ccccn1)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12.
What is the InChIKey of ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is FCLFQBLZXUKFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2.C2H6/c28-22(21-3-1-2-8-24-21)20-15-26-23-19(20)13-17(14-25-23)16-4-6-18(7-5-16)27-9-11-29-12-10-27;1-2/h1-8,13-15H,9-12H2,(H,25,26);1-2H3.
What are the key properties of ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone?
ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 414.51 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 142527683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).