[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

C26H32ClN5O2 — CID 90413829

IUPAC[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1
InChIInChI=1S/C26H32ClN5O2/c1-34-17-16-29-12-14-31(15-13-29)26(33)30-10-7-20(8-11-30)24-19-32(22-4-2-21(27)3-5-22)25-18-28-9-6-23(24)25/h2-6,9,18-20H,7-8,10-17H2,1H3
InChIKeyOCKKFFVWDXAKKP-UHFFFAOYSA-N
MW482.03 g/mol
LogP4.24
Rot. Bonds5

About [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 90413829) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID90413829
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC Name[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1
InChIInChI=1S/C26H32ClN5O2/c1-34-17-16-29-12-14-31(15-13-29)26(33)30-10-7-20(8-11-30)24-19-32(22-4-2-21(27)3-5-22)25-18-28-9-6-23(24)25/h2-6,9,18-20H,7-8,10-17H2,1H3
InChIKeyOCKKFFVWDXAKKP-UHFFFAOYSA-N
XLogP4.24
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone 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

[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 89451467
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane
CID 145325570
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine
CID 144974958
1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 159829945
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 71516373
N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
CID 90412720
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 71516439
4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one;3-aminopropyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanamine
CID 158915977
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide
CID 144553308
4-[1-(4-chlorophenyl)-4-methoxypyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid
CID 89445059
2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
CID 157217898
N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine
CID 129217021

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 90413829) is [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.
What is the InChIKey of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is OCKKFFVWDXAKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O2/c1-34-17-16-29-12-14-31(15-13-29)26(33)30-10-7-20(8-11-30)24-19-32(22-4-2-21(27)3-5-22)25-18-28-9-6-23(24)25/h2-6,9,18-20H,7-8,10-17H2,1H3.
What are the key properties of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 482.03 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90413829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).