6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C22H22N6O2 — CID 66887661

IUPAC6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCn1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)n1
InChIInChI=1S/C22H22N6O2/c1-27-9-7-18(26-27)19-14-15-6-8-23-22(29)20(15)21(25-19)24-16-2-4-17(5-3-16)28-10-12-30-13-11-28/h2-9,14H,10-13H2,1H3,(H,23,29)(H,24,25)
InChIKeyLDXZKKKVZAITSY-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.90
Rot. Bonds4

About 6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 66887661) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID66887661
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCn1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)n1
InChIInChI=1S/C22H22N6O2/c1-27-9-7-18(26-27)19-14-15-6-8-23-22(29)20(15)21(25-19)24-16-2-4-17(5-3-16)28-10-12-30-13-11-28/h2-9,14H,10-13H2,1H3,(H,23,29)(H,24,25)
InChIKeyLDXZKKKVZAITSY-UHFFFAOYSA-N
XLogP2.90
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(2-amino-6-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093783
6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58166613
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094050
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093812
6-(3-aminosulfanyl-4-methoxyphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 143841233
6-(2-methyl-3-methylsulfinylphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093617
ethyl 4-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-1,3-thiazole-2-carboxylate
CID 58094082
6-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887642
2-tert-butyl-5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]pyridine-3-carboxamide
CID 174612371
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 66887661) is 6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is Cn1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)n1.
What is the InChIKey of 6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is LDXZKKKVZAITSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-27-9-7-18(26-27)19-14-15-6-8-23-22(29)20(15)21(25-19)24-16-2-4-17(5-3-16)28-10-12-30-13-11-28/h2-9,14H,10-13H2,1H3,(H,23,29)(H,24,25).
What are the key properties of 6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 402.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66887661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).