1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one

C28H30ClN5O2 — CID 168851094

IUPAC1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESCN(CC(c1cccc(Cl)c1)n1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O)C1CC1
InChIInChI=1S/C28H30ClN5O2/c1-32(22-5-6-22)18-26(20-3-2-4-21(29)13-20)34-8-7-19(14-27(34)35)25-17-31-28-24(25)15-23(16-30-28)33-9-11-36-12-10-33/h2-4,7-8,13-17,22,26H,5-6,9-12,18H2,1H3,(H,30,31)
InChIKeyIHPYISDHTCRMMD-UHFFFAOYSA-N
MW504.03 g/mol
LogP4.57
Rot. Bonds7

About 1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one

1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one (PubChem CID 168851094) has the molecular formula C28H30ClN5O2 and a molecular weight of 504.03 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
PubChem CID168851094
Molecular FormulaC28H30ClN5O2
Molecular Weight504.03 g/mol
Exact Mass503.21
IUPAC Name1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESCN(CC(c1cccc(Cl)c1)n1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O)C1CC1
InChIInChI=1S/C28H30ClN5O2/c1-32(22-5-6-22)18-26(20-3-2-4-21(29)13-20)34-8-7-19(14-27(34)35)25-17-31-28-24(25)15-23(16-30-28)33-9-11-36-12-10-33/h2-4,7-8,13-17,22,26H,5-6,9-12,18H2,1H3,(H,30,31)
InChIKeyIHPYISDHTCRMMD-UHFFFAOYSA-N
XLogP4.57
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.03
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3,5-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851190
1-[(1S)-1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-[5-(dipropylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 170022462
1-[(1S)-1-(3,4-difluorophenyl)-2-(dimethylamino)ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851185
3-[(1S)-2-(dimethylamino)-1-[4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxo-1-pyridinyl]ethyl]benzonitrile
CID 168851195
1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(4-methylphenyl)sulfonyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 168851131
4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 170009427
1-[(1S)-1-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-[5-(dipropylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 170022350
1-[2-[butan-2-yl(methyl)amino]-1-(3-chlorophenyl)ethyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 170022037
1-[1-(3-chlorophenyl)-2-[cyclopropylmethyl(methyl)amino]ethyl]-4-[1-(4-methylphenyl)sulfonyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 168851089
1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 135332467
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
CID 146610083
1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one
CID 129163182

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The IUPAC name of 1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one (CID 168851094) is 1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The canonical SMILES for 1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is CN(CC(c1cccc(Cl)c1)n1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O)C1CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The InChIKey is IHPYISDHTCRMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O2/c1-32(22-5-6-22)18-26(20-3-2-4-21(29)13-20)34-8-7-19(14-27(34)35)25-17-31-28-24(25)15-23(16-30-28)33-9-11-36-12-10-33/h2-4,7-8,13-17,22,26H,5-6,9-12,18H2,1H3,(H,30,31).
What are the key properties of 1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one has a molecular weight of 504.03 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is sourced from PubChem (CID 168851094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).