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

C23H24N6O — CID 58094659

IUPAC6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)cn1
InChIInChI=1S/C23H24N6O/c1-29-14-18(13-26-29)20-12-17-8-11-25-23(30)21(17)22(28-20)27-19-4-2-15(3-5-19)16-6-9-24-10-7-16/h2-5,8,11-14,16,24H,6-7,9-10H2,1H3,(H,25,30)(H,27,28)
InChIKeyGOMDSIDLUWNXGN-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.53
Rot. Bonds4

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

6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58094659) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID58094659
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)cn1
InChIInChI=1S/C23H24N6O/c1-29-14-18(13-26-29)20-12-17-8-11-25-23(30)21(17)22(28-20)27-19-4-2-15(3-5-19)16-6-9-24-10-7-16/h2-5,8,11-14,16,24H,6-7,9-10H2,1H3,(H,25,30)(H,27,28)
InChIKeyGOMDSIDLUWNXGN-UHFFFAOYSA-N
XLogP3.53
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58094659) is 6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is Cn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is GOMDSIDLUWNXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-29-14-18(13-26-29)20-12-17-8-11-25-23(30)21(17)22(28-20)27-19-4-2-15(3-5-19)16-6-9-24-10-7-16/h2-5,8,11-14,16,24H,6-7,9-10H2,1H3,(H,25,30)(H,27,28).
What are the key properties of 6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 400.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).