6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C18H26N4O2 — CID 160792289

IUPAC6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCN1CCN(CCCCC(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1
InChIInChI=1S/C18H26N4O2/c1-20-9-11-22(12-10-20)8-4-3-5-16(23)15-13-21(2)18(24)17-14(15)6-7-19-17/h6-7,13,19H,3-5,8-12H2,1-2H3
InChIKeyBEQHUUHDHBUGTN-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.47
Rot. Bonds6

About 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 160792289) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID160792289
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCN1CCN(CCCCC(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1
InChIInChI=1S/C18H26N4O2/c1-20-9-11-22(12-10-20)8-4-3-5-16(23)15-13-21(2)18(24)17-14(15)6-7-19-17/h6-7,13,19H,3-5,8-12H2,1-2H3
InChIKeyBEQHUUHDHBUGTN-UHFFFAOYSA-N
XLogP1.47
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one 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-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
1-(5-ethynyl-1H-indol-3-yl)-4-(4-methylpiperazin-1-yl)butan-1-one
CID 145151314
N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530
6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338347
N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338423
1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 94274694
6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338208
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338536
[7-[(Z)-hydroxyiminomethyl]-1H-indol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 143094566
1-(2-chloro-4-methylphenyl)-6-piperidin-1-ylhexan-1-one
CID 54134495
1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 122483255
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 160792289) is 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one is CN1CCN(CCCCC(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1.
What is the InChIKey of 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is BEQHUUHDHBUGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-20-9-11-22(12-10-20)8-4-3-5-16(23)15-13-21(2)18(24)17-14(15)6-7-19-17/h6-7,13,19H,3-5,8-12H2,1-2H3.
What are the key properties of 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 330.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[5-(4-methylpiperazin-1-yl)pentanoyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 160792289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).