8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C27H29N7O3 — CID 174612162

IUPAC8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCOc1nc(-c2cc3c(c(Nc4ccc(C5CCN(C(C)=O)CC5)cc4)n2)C(C=O)NC=C3)cnc1N
InChIInChI=1S/C27H29N7O3/c1-16(36)34-11-8-18(9-12-34)17-3-5-20(6-4-17)31-26-24-19(7-10-29-23(24)15-35)13-21(32-26)22-14-30-25(28)27(33-22)37-2/h3-7,10,13-15,18,23,29H,8-9,11-12H2,1-2H3,(H2,28,30)(H,31,32)
InChIKeySSLGNDGEYJGQML-UHFFFAOYSA-N
MW499.58 g/mol
LogP3.41
Rot. Bonds6

About 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174612162) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174612162
Molecular FormulaC27H29N7O3
Molecular Weight499.58 g/mol
Exact Mass499.23
IUPAC Name8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCOc1nc(-c2cc3c(c(Nc4ccc(C5CCN(C(C)=O)CC5)cc4)n2)C(C=O)NC=C3)cnc1N
InChIInChI=1S/C27H29N7O3/c1-16(36)34-11-8-18(9-12-34)17-3-5-20(6-4-17)31-26-24-19(7-10-29-23(24)15-35)13-21(32-26)22-14-30-25(28)27(33-22)37-2/h3-7,10,13-15,18,23,29H,8-9,11-12H2,1-2H3,(H2,28,30)(H,31,32)
InChIKeySSLGNDGEYJGQML-UHFFFAOYSA-N
XLogP3.41
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde 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

8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612195
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-pyrimidin-5-yl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269454
6-(2-aminopyrimidin-5-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612113
6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612068
6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269497
8-[4-(1-methylsulfonylpyrrolidin-3-yl)anilino]-6-pyrimidin-5-yl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612314
6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626784
6-(3-hydroxyphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626845
8-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-6-(2-methoxypyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269441
6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612355
8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
6-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612072

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174612162) is 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is COc1nc(-c2cc3c(c(Nc4ccc(C5CCN(C(C)=O)CC5)cc4)n2)C(C=O)NC=C3)cnc1N.
What is the InChIKey of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is SSLGNDGEYJGQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3/c1-16(36)34-11-8-18(9-12-34)17-3-5-20(6-4-17)31-26-24-19(7-10-29-23(24)15-35)13-21(32-26)22-14-30-25(28)27(33-22)37-2/h3-7,10,13-15,18,23,29H,8-9,11-12H2,1-2H3,(H2,28,30)(H,31,32).
What are the key properties of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 499.58 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174612162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).