2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one

C25H25N5O2S — CID 71112984

IUPAC2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCCC(=O)N1CCC(n2c(=O)ccc3cnc4ccc(-c5ccc(SC)nc5)nc4c32)CC1
InChIInChI=1S/C25H25N5O2S/c1-3-22(31)29-12-10-18(11-13-29)30-23(32)9-5-17-15-26-20-7-6-19(28-24(20)25(17)30)16-4-8-21(33-2)27-14-16/h4-9,14-15,18H,3,10-13H2,1-2H3
InChIKeyQLTVIWKZTJOYQC-UHFFFAOYSA-N
MW459.58 g/mol
LogP4.30
Rot. Bonds4

About 2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one

2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 71112984) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID71112984
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCCC(=O)N1CCC(n2c(=O)ccc3cnc4ccc(-c5ccc(SC)nc5)nc4c32)CC1
InChIInChI=1S/C25H25N5O2S/c1-3-22(31)29-12-10-18(11-13-29)30-23(32)9-5-17-15-26-20-7-6-19(28-24(20)25(17)30)16-4-8-21(33-2)27-14-16/h4-9,14-15,18H,3,10-13H2,1-2H3
InChIKeyQLTVIWKZTJOYQC-UHFFFAOYSA-N
XLogP4.30
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one (CID 71112984) is 2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one is CCC(=O)N1CCC(n2c(=O)ccc3cnc4ccc(-c5ccc(SC)nc5)nc4c32)CC1.
What is the InChIKey of 2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is QLTVIWKZTJOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-3-22(31)29-12-10-18(11-13-29)30-23(32)9-5-17-15-26-20-7-6-19(28-24(20)25(17)30)16-4-8-21(33-2)27-14-16/h4-9,14-15,18H,3,10-13H2,1-2H3.
What are the key properties of 2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one?
2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 459.58 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfanyl-3-pyridinyl)-10-(1-propanoylpiperidin-4-yl)pyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 71112984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).