7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C19H19N5O2 — CID 72885591

IUPAC7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCOc1ccc(C2CC(=O)Nc3nc(N)ccc32)cc1Cn1cccn1
InChIInChI=1S/C19H19N5O2/c1-26-16-5-3-12(9-13(16)11-24-8-2-7-21-24)15-10-18(25)23-19-14(15)4-6-17(20)22-19/h2-9,15H,10-11H2,1H3,(H3,20,22,23,25)
InChIKeyMGKWPMTZEMSOLN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.39
Rot. Bonds4

About 7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 72885591) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID72885591
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCOc1ccc(C2CC(=O)Nc3nc(N)ccc32)cc1Cn1cccn1
InChIInChI=1S/C19H19N5O2/c1-26-16-5-3-12(9-13(16)11-24-8-2-7-21-24)15-10-18(25)23-19-14(15)4-6-17(20)22-19/h2-9,15H,10-11H2,1H3,(H3,20,22,23,25)
InChIKeyMGKWPMTZEMSOLN-UHFFFAOYSA-N
XLogP2.39
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97117619
9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169422035
7-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 169419561
ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 166249619
7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72845356
7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72849270
(7R)-2-(ethylamino)-7-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435903
(7S)-2-(ethylamino)-7-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435901
2-ethyl-4-(4-methoxy-3-methylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one;formic acid
CID 171339699
(4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine
CID 99929184
(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanamine
CID 93342575
5-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598405

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 72885591) is 7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is COc1ccc(C2CC(=O)Nc3nc(N)ccc32)cc1Cn1cccn1.
What is the InChIKey of 7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is MGKWPMTZEMSOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-16-5-3-12(9-13(16)11-24-8-2-7-21-24)15-10-18(25)23-19-14(15)4-6-17(20)22-19/h2-9,15H,10-11H2,1H3,(H3,20,22,23,25).
What are the key properties of 7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 72885591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).