2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine

C26H27N9O — CID 142584651

IUPAC2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine
SMILESCN1CCN(c2cc(C=O)ccn2)CC1.CNc1cc2nc(-c3cnc4cc[nH]c4n3)ccc2cn1
InChIInChI=1S/C15H12N6.C11H15N3O/c1-16-14-6-12-9(7-19-14)2-3-10(20-12)13-8-18-11-4-5-17-15(11)21-13;1-13-4-6-14(7-5-13)11-8-10(9-15)2-3-12-11/h2-8H,1H3,(H,16,19)(H,17,21);2-3,8-9H,4-7H2,1H3
InChIKeyWEUYUPKEHRRNND-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.26
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine

2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine (PubChem CID 142584651) has the molecular formula C26H27N9O and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine
PubChem CID142584651
Molecular FormulaC26H27N9O
Molecular Weight481.56 g/mol
Exact Mass481.23
IUPAC Name2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine
SMILESCN1CCN(c2cc(C=O)ccn2)CC1.CNc1cc2nc(-c3cnc4cc[nH]c4n3)ccc2cn1
InChIInChI=1S/C15H12N6.C11H15N3O/c1-16-14-6-12-9(7-19-14)2-3-10(20-12)13-8-18-11-4-5-17-15(11)21-13;1-13-4-6-14(7-5-13)11-8-10(9-15)2-3-12-11/h2-8H,1H3,(H,16,19)(H,17,21);2-3,8-9H,4-7H2,1H3
InChIKeyWEUYUPKEHRRNND-UHFFFAOYSA-N
XLogP3.26
TPSA115.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine
CID 142575352
1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 145392446
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
N-[2-[5-(dimethylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138591093
2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde
CID 142584201
N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine;1-methyl-4-(4-prop-2-enyl-2-pyridinyl)piperazine
CID 145392531
2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide
CID 138587517
2-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-5H-pyrrolo[2,3-b]pyrazine
CID 141293375
6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide
CID 138590695
1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine
CID 145392375
1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 145392535
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine (CID 142584651) is 2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine is CN1CCN(c2cc(C=O)ccn2)CC1.CNc1cc2nc(-c3cnc4cc[nH]c4n3)ccc2cn1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine?
The InChIKey is WEUYUPKEHRRNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6.C11H15N3O/c1-16-14-6-12-9(7-19-14)2-3-10(20-12)13-8-18-11-4-5-17-15(11)21-13;1-13-4-6-14(7-5-13)11-8-10(9-15)2-3-12-11/h2-8H,1H3,(H,16,19)(H,17,21);2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine?
2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine has a molecular weight of 481.56 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine is sourced from PubChem (CID 142584651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).