2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide

C27H26N8O — CID 138590297

IUPAC2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
SMILESCc1cc2cc(-c3ccc4cnc(NC(=O)c5ccnc(N6CCN(C)CC6)c5)cc4n3)cnc2[nH]1
InChIInChI=1S/C27H26N8O/c1-17-11-20-12-21(16-30-26(20)31-17)22-4-3-19-15-29-24(14-23(19)32-22)33-27(36)18-5-6-28-25(13-18)35-9-7-34(2)8-10-35/h3-6,11-16H,7-10H2,1-2H3,(H,30,31)(H,29,33,36)
InChIKeyHKWXLNBQUBWXKI-UHFFFAOYSA-N
MW478.56 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide (PubChem CID 138590297) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
PubChem CID138590297
Molecular FormulaC27H26N8O
Molecular Weight478.56 g/mol
Exact Mass478.22
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
SMILESCc1cc2cc(-c3ccc4cnc(NC(=O)c5ccnc(N6CCN(C)CC6)c5)cc4n3)cnc2[nH]1
InChIInChI=1S/C27H26N8O/c1-17-11-20-12-21(16-30-26(20)31-17)22-4-3-19-15-29-24(14-23(19)32-22)33-27(36)18-5-6-28-25(13-18)35-9-7-34(2)8-10-35/h3-6,11-16H,7-10H2,1-2H3,(H,30,31)(H,29,33,36)
InChIKeyHKWXLNBQUBWXKI-UHFFFAOYSA-N
XLogP3.88
TPSA102.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-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

N-[2-[5-(dimethylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138591093
2-(4-methylpiperazin-1-yl)-N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 138586346
2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138587897
6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide
CID 138590695
N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138586311
N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589244
2-(4-methylpiperazin-1-yl)-N-[7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138589711
N-[7-(6-amino-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138588126
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590492
2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide
CID 138587517
2-[4-(deuteriomethyl)piperazin-1-yl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 175806566

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide (CID 138590297) is 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide is Cc1cc2cc(-c3ccc4cnc(NC(=O)c5ccnc(N6CCN(C)CC6)c5)cc4n3)cnc2[nH]1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide?
The InChIKey is HKWXLNBQUBWXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-17-11-20-12-21(16-30-26(20)31-17)22-4-3-19-15-29-24(14-23(19)32-22)33-27(36)18-5-6-28-25(13-18)35-9-7-34(2)8-10-35/h3-6,11-16H,7-10H2,1-2H3,(H,30,31)(H,29,33,36).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138590297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).