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

C23H23BrN6O — CID 58093909

IUPAC5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCn1cc(-c2nc(Nc3ccc(C4CCNCC4)cc3)c3c(=O)[nH]ccc3c2Br)cn1
InChIInChI=1S/C23H23BrN6O/c1-30-13-16(12-27-30)21-20(24)18-8-11-26-23(31)19(18)22(29-21)28-17-4-2-14(3-5-17)15-6-9-25-10-7-15/h2-5,8,11-13,15,25H,6-7,9-10H2,1H3,(H,26,31)(H,28,29)
InChIKeySJWDUMZIJJKFBW-UHFFFAOYSA-N
MW479.38 g/mol
LogP4.30
Rot. Bonds4

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

5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58093909) has the molecular formula C23H23BrN6O and a molecular weight of 479.38 g/mol. Its IUPAC name is 5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID58093909
Molecular FormulaC23H23BrN6O
Molecular Weight479.38 g/mol
Exact Mass478.11
IUPAC Name5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCn1cc(-c2nc(Nc3ccc(C4CCNCC4)cc3)c3c(=O)[nH]ccc3c2Br)cn1
InChIInChI=1S/C23H23BrN6O/c1-30-13-16(12-27-30)21-20(24)18-8-11-26-23(31)19(18)22(29-21)28-17-4-2-14(3-5-17)15-6-9-25-10-7-15/h2-5,8,11-13,15,25H,6-7,9-10H2,1H3,(H,26,31)(H,28,29)
InChIKeySJWDUMZIJJKFBW-UHFFFAOYSA-N
XLogP4.30
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094659
5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one
CID 58043745
8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
CID 58093803
6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094107
8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
CID 66887497
6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093620
8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one
CID 58094243
6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66886964
4-ethyl-4-[4-oxo-3-(4-piperidin-4-ylanilino)-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 138731564
8-[4-(1-methylpiperidin-4-yl)anilino]-6-(6-methyl-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58094511
6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66888438
8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
CID 66887978

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58093909) is 5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is Cn1cc(-c2nc(Nc3ccc(C4CCNCC4)cc3)c3c(=O)[nH]ccc3c2Br)cn1.
What is the InChIKey of 5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is SJWDUMZIJJKFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN6O/c1-30-13-16(12-27-30)21-20(24)18-8-11-26-23(31)19(18)22(29-21)28-17-4-2-14(3-5-17)15-6-9-25-10-7-15/h2-5,8,11-13,15,25H,6-7,9-10H2,1H3,(H,26,31)(H,28,29).
What are the key properties of 5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 479.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).