6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C24H25N7O2 — CID 173032313

IUPAC6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCOc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccccc3C3CCNCC3)n2)cnc1N
InChIInChI=1S/C24H25N7O2/c1-33-24-21(25)28-13-19(31-24)18-12-15-8-11-27-23(32)20(15)22(30-18)29-17-5-3-2-4-16(17)14-6-9-26-10-7-14/h2-5,8,11-14,26H,6-7,9-10H2,1H3,(H2,25,28)(H,27,32)(H,29,30)
InChIKeyYSPKYMFBNLATCL-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.18
Rot. Bonds5

About 6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 173032313) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID173032313
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCOc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccccc3C3CCNCC3)n2)cnc1N
InChIInChI=1S/C24H25N7O2/c1-33-24-21(25)28-13-19(31-24)18-12-15-8-11-27-23(32)20(15)22(30-18)29-17-5-3-2-4-16(17)14-6-9-26-10-7-14/h2-5,8,11-14,26H,6-7,9-10H2,1H3,(H2,25,28)(H,27,32)(H,29,30)
InChIKeyYSPKYMFBNLATCL-UHFFFAOYSA-N
XLogP3.18
TPSA130.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2-methoxypyrimidin-5-yl)-8-[4-piperidin-4-yl-3-(trifluoromethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094475
6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094107
6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58093719
6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66888438
6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094659
6-(2,4-dimethoxypyrimidin-5-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 66888290
6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 123142080
6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093620
6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094116
methyl 2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanoate
CID 58167458
6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66886964
3-methoxy-2,2-dimethylpropanoic acid;8-[4-[1-(3-methoxy-2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylanilino]-6-(6-methylpyrazin-2-yl)-2H-2,7-naphthyridin-1-one;8-(3-methyl-4-piperidin-4-ylanilino)-6-(6-methylpyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 161345597

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 173032313) is 6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is COc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccccc3C3CCNCC3)n2)cnc1N.
What is the InChIKey of 6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is YSPKYMFBNLATCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-33-24-21(25)28-13-19(31-24)18-12-15-8-11-27-23(32)20(15)22(30-18)29-17-5-3-2-4-16(17)14-6-9-26-10-7-14/h2-5,8,11-14,26H,6-7,9-10H2,1H3,(H2,25,28)(H,27,32)(H,29,30).
What are the key properties of 6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 443.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-6-methoxypyrazin-2-yl)-8-(2-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 173032313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).