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

C26H24N8O — CID 138590424

IUPAC2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncc6[nH]ccc56)ncc4cn3)ccn2)CC1
InChIInChI=1S/C26H24N8O/c1-33-6-8-34(9-7-33)25-12-17(2-4-29-25)26(35)32-24-11-18-10-22(30-13-19(18)14-31-24)21-15-27-16-23-20(21)3-5-28-23/h2-5,10-16,28H,6-9H2,1H3,(H,31,32,35)
InChIKeyBVUPIWNMDQVREB-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.57
Rot. Bonds4

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

2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide (PubChem CID 138590424) has the molecular formula C26H24N8O and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
PubChem CID138590424
Molecular FormulaC26H24N8O
Molecular Weight464.53 g/mol
Exact Mass464.21
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncc6[nH]ccc56)ncc4cn3)ccn2)CC1
InChIInChI=1S/C26H24N8O/c1-33-6-8-34(9-7-33)25-12-17(2-4-29-25)26(35)32-24-11-18-10-22(30-13-19(18)14-31-24)21-15-27-16-23-20(21)3-5-28-23/h2-5,10-16,28H,6-9H2,1H3,(H,31,32,35)
InChIKeyBVUPIWNMDQVREB-UHFFFAOYSA-N
XLogP3.57
TPSA102.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138590737
N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138587297
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide
CID 138591723
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589048
N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138586311
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
N-[2-[5-(dimethylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138591093
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 161188448
2-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590650
2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138587897
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-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide (CID 138590424) is 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncc6[nH]ccc56)ncc4cn3)ccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
The InChIKey is BVUPIWNMDQVREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O/c1-33-6-8-34(9-7-33)25-12-17(2-4-29-25)26(35)32-24-11-18-10-22(30-13-19(18)14-31-24)21-15-27-16-23-20(21)3-5-28-23/h2-5,10-16,28H,6-9H2,1H3,(H,31,32,35).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 3.57, 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-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138590424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).