2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C24H24N6O3 — CID 10072145

IUPAC2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(/C=N/Nc4ccc(C(=O)N5CCOCC5)cc4)c3)cc21
InChIInChI=1S/C24H24N6O3/c31-23-20-14-22(28-21(20)6-8-26-23)17-5-7-25-19(13-17)15-27-29-18-3-1-16(2-4-18)24(32)30-9-11-33-12-10-30/h1-5,7,13-15,28-29H,6,8-12H2,(H,26,31)/b27-15+
InChIKeyCLUBZMIJLZBMEI-JFLMPSFJSA-N
MW444.50 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 10072145) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID10072145
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(/C=N/Nc4ccc(C(=O)N5CCOCC5)cc4)c3)cc21
InChIInChI=1S/C24H24N6O3/c31-23-20-14-22(28-21(20)6-8-26-23)17-5-7-25-19(13-17)15-27-29-18-3-1-16(2-4-18)24(32)30-9-11-33-12-10-30/h1-5,7,13-15,28-29H,6,8-12H2,(H,26,31)/b27-15+
InChIKeyCLUBZMIJLZBMEI-JFLMPSFJSA-N
XLogP2.28
TPSA111.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(E)-2-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 87958665
2-[2-[(E)-2-(3-fluoro-4-morpholin-4-ylphenyl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetaldehyde
CID 158036194
2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72653082
[4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone
CID 89292733
2-[2-[(E)-2-[3-(2-morpholin-4-ylethyl)phenyl]ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;3,3,3-trifluoroprop-1-en-2-ol
CID 162107672
2-[2-[(Z)-C-phenylcarbonohydrazonoyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90691473
5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962285
2-(2-pyridin-4-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 16719968
2-[2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 159965383
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
CID 169445506
2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 118511982
2-[2-[2-[2-(trifluoromethoxy)phenyl]ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72652967

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 10072145) is 2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(/C=N/Nc4ccc(C(=O)N5CCOCC5)cc4)c3)cc21.
What is the InChIKey of 2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is CLUBZMIJLZBMEI-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H24N6O3/c31-23-20-14-22(28-21(20)6-8-26-23)17-5-7-25-19(13-17)15-27-29-18-3-1-16(2-4-18)24(32)30-9-11-33-12-10-30/h1-5,7,13-15,28-29H,6,8-12H2,(H,26,31)/b27-15+.
What are the key properties of 2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 444.50 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 10072145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).