7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline

C26H21FN8S — CID 141456409

IUPAC7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
SMILESCSc1ccc(-c2nc3n[nH]nc3nc2C(C)c2cc3cc(-c4cnn(C)c4)cnc3cc2F)cc1
InChIInChI=1S/C26H21FN8S/c1-14(20-9-16-8-17(18-12-29-35(2)13-18)11-28-22(16)10-21(20)27)23-24(15-4-6-19(36-3)7-5-15)31-26-25(30-23)32-34-33-26/h4-14H,1-3H3,(H,30,31,32,33,34)
InChIKeyUDQJWWBAIJXWPI-UHFFFAOYSA-N
MW496.58 g/mol
LogP5.38
Rot. Bonds5

About 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline

7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline (PubChem CID 141456409) has the molecular formula C26H21FN8S and a molecular weight of 496.58 g/mol. Its IUPAC name is 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline.

Molecular Properties

Compound Name7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
PubChem CID141456409
Molecular FormulaC26H21FN8S
Molecular Weight496.58 g/mol
Exact Mass496.16
IUPAC Name7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
SMILESCSc1ccc(-c2nc3n[nH]nc3nc2C(C)c2cc3cc(-c4cnn(C)c4)cnc3cc2F)cc1
InChIInChI=1S/C26H21FN8S/c1-14(20-9-16-8-17(18-12-29-35(2)13-18)11-28-22(16)10-21(20)27)23-24(15-4-6-19(36-3)7-5-15)31-26-25(30-23)32-34-33-26/h4-14H,1-3H3,(H,30,31,32,33,34)
InChIKeyUDQJWWBAIJXWPI-UHFFFAOYSA-N
XLogP5.38
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline with MolForge

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

Launch Full Analysis

Related Compounds

7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
CID 141456392
7-fluoro-6-[1-(6-isoquinolin-4-yl-2H-triazolo[4,5-b]pyrazin-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoline
CID 141456395
3-(1-methylpyrazol-4-yl)-6-[[5-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-6-yl]methyl]quinoline
CID 141456415
7-fluoro-6-(1-imidazo[4,5-b]pyrazin-3-ylethyl)-3-(1-methylpyrazol-4-yl)quinoline
CID 141370356
4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline
CID 118951932
3-[(1S)-1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-amine
CID 162691313
N-[(4-fluorophenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 122184265
2-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]isoindole-1,3-dione
CID 141370379
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370339
6-ethyl-2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]pyridazin-2-ium-3-amine
CID 143662517
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline
CID 155549474
2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
CID 70665637

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
The IUPAC name of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline (CID 141456409) is 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline.
What is the SMILES notation for 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
The canonical SMILES for 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline is CSc1ccc(-c2nc3n[nH]nc3nc2C(C)c2cc3cc(-c4cnn(C)c4)cnc3cc2F)cc1.
What is the InChIKey of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
The InChIKey is UDQJWWBAIJXWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8S/c1-14(20-9-16-8-17(18-12-29-35(2)13-18)11-28-22(16)10-21(20)27)23-24(15-4-6-19(36-3)7-5-15)31-26-25(30-23)32-34-33-26/h4-14H,1-3H3,(H,30,31,32,33,34).
What are the key properties of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline has a molecular weight of 496.58 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline is sourced from PubChem (CID 141456409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).