6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole

C26H22ClN7O — CID 143997449

IUPAC6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole
SMILESC#Cc1cccc(-c2cc(=O)n(C)c3ccc(C(N)c4ccc(Cl)cc4)nc23)n1.Cn1ccnn1
InChIInChI=1S/C23H17ClN4O.C3H5N3/c1-3-16-5-4-6-18(26-16)17-13-21(29)28(2)20-12-11-19(27-23(17)20)22(25)14-7-9-15(24)10-8-14;1-6-3-2-4-5-6/h1,4-13,22H,25H2,2H3;2-3H,1H3
InChIKeyHXPPMIZQZPAZMN-UHFFFAOYSA-N
MW483.96 g/mol
LogP3.49
Rot. Bonds3

About 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole

6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole (PubChem CID 143997449) has the molecular formula C26H22ClN7O and a molecular weight of 483.96 g/mol. Its IUPAC name is 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole.

Molecular Properties

Compound Name6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole
PubChem CID143997449
Molecular FormulaC26H22ClN7O
Molecular Weight483.96 g/mol
Exact Mass483.16
IUPAC Name6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole
SMILESC#Cc1cccc(-c2cc(=O)n(C)c3ccc(C(N)c4ccc(Cl)cc4)nc23)n1.Cn1ccnn1
InChIInChI=1S/C23H17ClN4O.C3H5N3/c1-3-16-5-4-6-18(26-16)17-13-21(29)28(2)20-12-11-19(27-23(17)20)22(25)14-7-9-15(24)10-8-14;1-6-3-2-4-5-6/h1,4-13,22H,25H2,2H3;2-3H,1H3
InChIKeyHXPPMIZQZPAZMN-UHFFFAOYSA-N
XLogP3.49
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole?
The IUPAC name of 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole (CID 143997449) is 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole.
What is the SMILES notation for 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole?
The canonical SMILES for 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole is C#Cc1cccc(-c2cc(=O)n(C)c3ccc(C(N)c4ccc(Cl)cc4)nc23)n1.Cn1ccnn1.
What is the InChIKey of 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole?
The InChIKey is HXPPMIZQZPAZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O.C3H5N3/c1-3-16-5-4-6-18(26-16)17-13-21(29)28(2)20-12-11-19(27-23(17)20)22(25)14-7-9-15(24)10-8-14;1-6-3-2-4-5-6/h1,4-13,22H,25H2,2H3;2-3H,1H3.
What are the key properties of 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole?
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole has a molecular weight of 483.96 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole is sourced from PubChem (CID 143997449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).