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

C18H15N5O — CID 66887497

IUPAC8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
SMILESCn1cc(-c2cnc(Nc3ccccc3)c3c(=O)[nH]ccc23)cn1
InChIInChI=1S/C18H15N5O/c1-23-11-12(9-21-23)15-10-20-17(22-13-5-3-2-4-6-13)16-14(15)7-8-19-18(16)24/h2-11H,1H3,(H,19,24)(H,20,22)
InChIKeyMOPWORVLZXCQNC-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.07
Rot. Bonds3

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

8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 66887497) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
PubChem CID66887497
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
SMILESCn1cc(-c2cnc(Nc3ccccc3)c3c(=O)[nH]ccc23)cn1
InChIInChI=1S/C18H15N5O/c1-23-11-12(9-21-23)15-10-20-17(22-13-5-3-2-4-6-13)16-14(15)7-8-19-18(16)24/h2-11H,1H3,(H,19,24)(H,20,22)
InChIKeyMOPWORVLZXCQNC-UHFFFAOYSA-N
XLogP3.07
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde
CID 87192134
5-bromo-6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093909
5-[4-(aminomethyl)phenyl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094662
6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094659
1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea
CID 5111829
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
CID 136974016
9-chloro-4-(1-methylpyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one
CID 15983766
5-[2,6-dichloro-4-[(1S)-1-hydroxyethyl]anilino]-9-(1-methylpyrazol-4-yl)-2H-benzo[h][2,6]naphthyridin-1-one
CID 59435995
5-(furan-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;2-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]benzonitrile
CID 66888178
N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
CID 134806044
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504

Frequently Asked Questions

What is the IUPAC name of 8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one (CID 66887497) is 8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one is Cn1cc(-c2cnc(Nc3ccccc3)c3c(=O)[nH]ccc23)cn1.
What is the InChIKey of 8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one?
The InChIKey is MOPWORVLZXCQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-23-11-12(9-21-23)15-10-20-17(22-13-5-3-2-4-6-13)16-14(15)7-8-19-18(16)24/h2-11H,1H3,(H,19,24)(H,20,22).
What are the key properties of 8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one?
8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 317.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66887497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).