1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide

C23H24ClF2N5O2 — CID 70972765

IUPAC1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)Cn1cc(C(=O)NCC(c2ccc(F)c(F)c2)N2CCCCC2)c2c(Cl)ccnc21
InChIInChI=1S/C23H24ClF2N5O2/c24-16-6-7-28-22-21(16)15(12-31(22)13-20(27)32)23(33)29-11-19(30-8-2-1-3-9-30)14-4-5-17(25)18(26)10-14/h4-7,10,12,19H,1-3,8-9,11,13H2,(H2,27,32)(H,29,33)
InChIKeyIDXXEWUCTPCWCD-UHFFFAOYSA-N
MW475.93 g/mol
LogP3.41
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide

1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 70972765) has the molecular formula C23H24ClF2N5O2 and a molecular weight of 475.93 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID70972765
Molecular FormulaC23H24ClF2N5O2
Molecular Weight475.93 g/mol
Exact Mass475.16
IUPAC Name1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)Cn1cc(C(=O)NCC(c2ccc(F)c(F)c2)N2CCCCC2)c2c(Cl)ccnc21
InChIInChI=1S/C23H24ClF2N5O2/c24-16-6-7-28-22-21(16)15(12-31(22)13-20(27)32)23(33)29-11-19(30-8-2-1-3-9-30)14-4-5-17(25)18(26)10-14/h4-7,10,12,19H,1-3,8-9,11,13H2,(H2,27,32)(H,29,33)
InChIKeyIDXXEWUCTPCWCD-UHFFFAOYSA-N
XLogP3.41
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
CID 69084825
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluoropyridine-2-carboxamide
CID 167930365
2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
CID 125445207
4-chloro-1-[(5Z,7Z)-3,4-dihydroazocin-2-yl]-N-[2-(2-methylpyrimidin-5-yl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 143857542
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 112821597
4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 69084255
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
2-chloro-4-fluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 26007854
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide
CID 99973037
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dichlorobenzamide
CID 16931838

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide (CID 70972765) is 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide is NC(=O)Cn1cc(C(=O)NCC(c2ccc(F)c(F)c2)N2CCCCC2)c2c(Cl)ccnc21.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is IDXXEWUCTPCWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N5O2/c24-16-6-7-28-22-21(16)15(12-31(22)13-20(27)32)23(33)29-11-19(30-8-2-1-3-9-30)14-4-5-17(25)18(26)10-14/h4-7,10,12,19H,1-3,8-9,11,13H2,(H2,27,32)(H,29,33).
What are the key properties of 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide?
1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 475.93 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-4-chloro-N-[2-(3,4-difluorophenyl)-2-piperidin-1-ylethyl]pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 70972765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).