5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine

C24H22N6S — CID 172601108

IUPAC5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine
SMILESCC(C)NSc1ccc(Nc2cc3c(C#Cc4cccnc4N)nccc3cn2)cc1
InChIInChI=1S/C24H22N6S/c1-16(2)30-31-20-8-6-19(7-9-20)29-23-14-21-18(15-28-23)11-13-26-22(21)10-5-17-4-3-12-27-24(17)25/h3-4,6-9,11-16,30H,1-2H3,(H2,25,27)(H,28,29)
InChIKeyHIZAWFRSCJKZGK-UHFFFAOYSA-N
MW426.55 g/mol
LogP4.76
Rot. Bonds5

About 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine

5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine (PubChem CID 172601108) has the molecular formula C24H22N6S and a molecular weight of 426.55 g/mol. Its IUPAC name is 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine
PubChem CID172601108
Molecular FormulaC24H22N6S
Molecular Weight426.55 g/mol
Exact Mass426.16
IUPAC Name5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine
SMILESCC(C)NSc1ccc(Nc2cc3c(C#Cc4cccnc4N)nccc3cn2)cc1
InChIInChI=1S/C24H22N6S/c1-16(2)30-31-20-8-6-19(7-9-20)29-23-14-21-18(15-28-23)11-13-26-22(21)10-5-17-4-3-12-27-24(17)25/h3-4,6-9,11-16,30H,1-2H3,(H2,25,27)(H,28,29)
InChIKeyHIZAWFRSCJKZGK-UHFFFAOYSA-N
XLogP4.76
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine with MolForge

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Related Compounds

5-[2-(5-amino-3-chloropyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600972
6-[2-[7-[4-(cyclobutylamino)sulfanylanilino]-2,6-naphthyridin-1-yl]ethynyl]-3,3-dimethyl-1H-indol-2-one
CID 172600047
N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
CID 172601046
3,3-diethyl-6-[2-[7-(4-methylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]-1H-indol-2-one
CID 172601226
6-[2-[7-(4-cyclopropylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]-3,3-dimethyl-1H-indol-2-one
CID 172600481
5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600763
6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 172600236
5-[2-[6-(difluoromethyl)-3-pyridinyl]ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600378
5-[2-(2-methoxy-4-pyridinyl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600118
5-[2-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]ethynyl]-1H-pyridin-2-one
CID 172600323
4-[[5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]-2,6-naphthyridin-3-yl]amino]benzenesulfonic acid
CID 172600003
5-[2-(1,3-benzodioxol-5-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600888

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine?
The IUPAC name of 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine (CID 172601108) is 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine.
What is the SMILES notation for 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine?
The canonical SMILES for 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine is CC(C)NSc1ccc(Nc2cc3c(C#Cc4cccnc4N)nccc3cn2)cc1.
What is the InChIKey of 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine?
The InChIKey is HIZAWFRSCJKZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6S/c1-16(2)30-31-20-8-6-19(7-9-20)29-23-14-21-18(15-28-23)11-13-26-22(21)10-5-17-4-3-12-27-24(17)25/h3-4,6-9,11-16,30H,1-2H3,(H2,25,27)(H,28,29).
What are the key properties of 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine?
5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine has a molecular weight of 426.55 g/mol, XLogP of 4.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172601108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).