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

C22H22N6O2 — CID 58094430

IUPAC5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCn1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3c(=O)[nH]ccc23)cn1
InChIInChI=1S/C22H22N6O2/c1-27-14-15(12-25-27)19-13-24-21(20-18(19)6-7-23-22(20)29)26-16-2-4-17(5-3-16)28-8-10-30-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,23,29)(H,24,26)
InChIKeyGCENGWFOWKJVCB-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.90
Rot. Bonds4

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

5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58094430) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID58094430
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCn1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3c(=O)[nH]ccc23)cn1
InChIInChI=1S/C22H22N6O2/c1-27-14-15(12-25-27)19-13-24-21(20-18(19)6-7-23-22(20)29)26-16-2-4-17(5-3-16)28-8-10-30-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,23,29)(H,24,26)
InChIKeyGCENGWFOWKJVCB-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

8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
8-[4-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175180
8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 138393333
8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 138393334
6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 138454245
8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753209
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-8-[(2-methylindazol-4-yl)amino]-2H-2,7-naphthyridin-1-one
CID 90656285
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[4,6-dimethyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 118733351
4-methyl-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1372063
N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10000408
1-[3-[5-(4-Morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
CID 24994202
N-[4-(2-morpholin-4-ylethoxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53257442

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58094430) is 5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is Cn1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3c(=O)[nH]ccc23)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is GCENGWFOWKJVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-27-14-15(12-25-27)19-13-24-21(20-18(19)6-7-23-22(20)29)26-16-2-4-17(5-3-16)28-8-10-30-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,23,29)(H,24,26).
What are the key properties of 5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
5-(1-methylpyrazol-4-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 5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).