N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine

C23H21N5OS — CID 164991780

IUPACN-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine
SMILESC=S(C)(=O)N1CCc2ccc(Nc3nc(-c4ccncc4)cc4ncccc34)cc21
InChIInChI=1S/C23H21N5OS/c1-30(2,29)28-13-9-17-5-6-18(14-22(17)28)26-23-19-4-3-10-25-21(19)15-20(27-23)16-7-11-24-12-8-16/h3-8,10-12,14-15H,1,9,13H2,2H3,(H,26,27)
InChIKeyOWIAMNGKJOMCLA-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.06
Rot. Bonds4

About N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine

N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine (PubChem CID 164991780) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine.

Molecular Properties

Compound NameN-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine
PubChem CID164991780
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC NameN-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine
SMILESC=S(C)(=O)N1CCc2ccc(Nc3nc(-c4ccncc4)cc4ncccc34)cc21
InChIInChI=1S/C23H21N5OS/c1-30(2,29)28-13-9-17-5-6-18(14-22(17)28)26-23-19-4-3-10-25-21(19)15-20(27-23)16-7-11-24-12-8-16/h3-8,10-12,14-15H,1,9,13H2,2H3,(H,26,27)
InChIKeyOWIAMNGKJOMCLA-UHFFFAOYSA-N
XLogP4.06
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3H-indazol-6-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine
CID 165095379
N-(1H-inden-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine
CID 165007443
N-(1-methylindol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine
CID 165077652
N-(1-methylindazol-6-yl)-7-phenyl-1,6-naphthyridin-5-amine
CID 165077653
4-methyl-1-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-2,3-dihydropyrido[2,3-b]pyrazine
CID 164732257
2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 10217941
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789671
6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide
CID 86679829
4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 98077510
2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide
CID 58398133
4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 147047447
6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 99507210

Frequently Asked Questions

What is the IUPAC name of N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine?
The IUPAC name of N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine (CID 164991780) is N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine.
What is the SMILES notation for N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine?
The canonical SMILES for N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine is C=S(C)(=O)N1CCc2ccc(Nc3nc(-c4ccncc4)cc4ncccc34)cc21.
What is the InChIKey of N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine?
The InChIKey is OWIAMNGKJOMCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-30(2,29)28-13-9-17-5-6-18(14-22(17)28)26-23-19-4-3-10-25-21(19)15-20(27-23)16-7-11-24-12-8-16/h3-8,10-12,14-15H,1,9,13H2,2H3,(H,26,27).
What are the key properties of N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine?
N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine has a molecular weight of 415.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-2,3-dihydroindol-6-yl]-7-pyridin-4-yl-1,6-naphthyridin-5-amine is sourced from PubChem (CID 164991780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).