6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole

C27H23ClN6O — CID 143997532

IUPAC6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
SMILESC#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(N)c4ccc(Cl)cc4)cc23)n1.Cn1ccnc1
InChIInChI=1S/C23H17ClN4O.C4H6N2/c1-3-17-5-4-6-20(27-17)18-12-21(29)28(2)23-19(18)11-15(13-26-23)22(25)14-7-9-16(24)10-8-14;1-6-3-2-5-4-6/h1,4-13,22H,25H2,2H3;2-4H,1H3
InChIKeyYSSPFACMUMEEED-UHFFFAOYSA-N
MW482.98 g/mol
LogP4.10
Rot. Bonds3

About 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole

6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole (PubChem CID 143997532) has the molecular formula C27H23ClN6O and a molecular weight of 482.98 g/mol. Its IUPAC name is 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole.

Molecular Properties

Compound Name6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
PubChem CID143997532
Molecular FormulaC27H23ClN6O
Molecular Weight482.98 g/mol
Exact Mass482.16
IUPAC Name6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
SMILESC#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(N)c4ccc(Cl)cc4)cc23)n1.Cn1ccnc1
InChIInChI=1S/C23H17ClN4O.C4H6N2/c1-3-17-5-4-6-20(27-17)18-12-21(29)28(2)23-19(18)11-15(13-26-23)22(25)14-7-9-16(24)10-8-14;1-6-3-2-5-4-6/h1,4-13,22H,25H2,2H3;2-4H,1H3
InChIKeyYSSPFACMUMEEED-UHFFFAOYSA-N
XLogP4.10
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.98
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[6-[amino-(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile;1-methylimidazole
CID 143997536
6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 143997448
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997300
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 46205251
6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997364
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 59334656
4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole
CID 143910621
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole
CID 143997449
6-[6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]pyridine-2-carbonitrile
CID 59334748
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997357
6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
CID 75146692
6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997344

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole?
The IUPAC name of 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole (CID 143997532) is 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole.
What is the SMILES notation for 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole?
The canonical SMILES for 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole is C#Cc1cccc(-c2cc(=O)n(C)c3ncc(C(N)c4ccc(Cl)cc4)cc23)n1.Cn1ccnc1.
What is the InChIKey of 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole?
The InChIKey is YSSPFACMUMEEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O.C4H6N2/c1-3-17-5-4-6-20(27-17)18-12-21(29)28(2)23-19(18)11-15(13-26-23)22(25)14-7-9-16(24)10-8-14;1-6-3-2-5-4-6/h1,4-13,22H,25H2,2H3;2-4H,1H3.
What are the key properties of 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole?
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole has a molecular weight of 482.98 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole is sourced from PubChem (CID 143997532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).