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

C25H25N5O3S — CID 71479398

IUPAC10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCSc1ccc(-c2ccc3ncc4ccc(=O)n(C5CCN(C(=O)[C@@H](C)O)CC5)c4c3n2)cn1
InChIInChI=1S/C25H25N5O3S/c1-15(31)25(33)29-11-9-18(10-12-29)30-22(32)8-4-17-14-26-20-6-5-19(28-23(20)24(17)30)16-3-7-21(34-2)27-13-16/h3-8,13-15,18,31H,9-12H2,1-2H3/t15-/m1/s1
InChIKeyOZBAQIQFXNXVRM-OAHLLOKOSA-N
MW475.57 g/mol
LogP3.27
Rot. Bonds4

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

10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 71479398) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID71479398
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCSc1ccc(-c2ccc3ncc4ccc(=O)n(C5CCN(C(=O)[C@@H](C)O)CC5)c4c3n2)cn1
InChIInChI=1S/C25H25N5O3S/c1-15(31)25(33)29-11-9-18(10-12-29)30-22(32)8-4-17-14-26-20-6-5-19(28-23(20)24(17)30)16-3-7-21(34-2)27-13-16/h3-8,13-15,18,31H,9-12H2,1-2H3/t15-/m1/s1
InChIKeyOZBAQIQFXNXVRM-OAHLLOKOSA-N
XLogP3.27
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one (CID 71479398) is 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one is CSc1ccc(-c2ccc3ncc4ccc(=O)n(C5CCN(C(=O)[C@@H](C)O)CC5)c4c3n2)cn1.
What is the InChIKey of 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is OZBAQIQFXNXVRM-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-15(31)25(33)29-11-9-18(10-12-29)30-22(32)8-4-17-14-26-20-6-5-19(28-23(20)24(17)30)16-3-7-21(34-2)27-13-16/h3-8,13-15,18,31H,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one?
10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 475.57 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2-(6-methylsulfanyl-3-pyridinyl)pyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 71479398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).