2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide

C26H20FN9O — CID 137639212

IUPAC2-fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
SMILESCC(C1=CC2=CC(=CN=C2C=C1)C3=CN(N=C3)C)N4C5=NC(=CN=C5N=N4)C6=CC(=C(C=C6)C(=O)N)F
InChIInChI=1S/C26H20FN9O/c1-14(15-4-6-22-17(7-15)8-18(10-29-22)19-11-31-35(2)13-19)36-26-25(33-34-36)30-12-23(32-26)16-3-5-20(24(28)37)21(27)9-16/h3-14H,1-2H3,(H2,28,37)
InChIKeySDLSOMJHYNKGRN-UHFFFAOYSA-N
MW493.50 g/mol
LogP2.50
Rot. Bonds5

About 2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide

2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide (PubChem CID 137639212) has the molecular formula C26H20FN9O and a molecular weight of 493.50 g/mol. Its IUPAC name is 2-fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide.

Molecular Properties

Compound Name2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
PubChem CID137639212
Molecular FormulaC26H20FN9O
Molecular Weight493.50 g/mol
Exact Mass493.18
IUPAC Name2-fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
SMILESCC(C1=CC2=CC(=CN=C2C=C1)C3=CN(N=C3)C)N4C5=NC(=CN=C5N=N4)C6=CC(=C(C=C6)C(=O)N)F
InChIInChI=1S/C26H20FN9O/c1-14(15-4-6-22-17(7-15)8-18(10-29-22)19-11-31-35(2)13-19)36-26-25(33-34-36)30-12-23(32-26)16-3-5-20(24(28)37)21(27)9-16/h3-14H,1-2H3,(H2,28,37)
InChIKeySDLSOMJHYNKGRN-UHFFFAOYSA-N
XLogP2.50
TPSA130.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity821

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide 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

Ponatinib
CID 24826799
Capmatinib
CID 25145656
Ponatinib Hydrochloride
CID 46908927
Lorecivivint
CID 135565709
Pimitespib
CID 67501411
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Capmatinib Hydrochloride
CID 122201352
Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-(1-piperazinylmethyl)-3-(trifluoromethyl)phenyl)-
CID 24826880
(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
CID 153572417
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
n-[3-(3-{4-[(Dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 24884503
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063

Frequently Asked Questions

What is the IUPAC name of 2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide?
The IUPAC name of 2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide (CID 137639212) is 2-fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide.
What is the SMILES notation for 2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide?
The canonical SMILES for 2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide is CC(C1=CC2=CC(=CN=C2C=C1)C3=CN(N=C3)C)N4C5=NC(=CN=C5N=N4)C6=CC(=C(C=C6)C(=O)N)F.
What is the InChIKey of 2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide?
The InChIKey is SDLSOMJHYNKGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN9O/c1-14(15-4-6-22-17(7-15)8-18(10-29-22)19-11-31-35(2)13-19)36-26-25(33-34-36)30-12-23(32-26)16-3-5-20(24(28)37)21(27)9-16/h3-14H,1-2H3,(H2,28,37).
What are the key properties of 2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide?
2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide has a molecular weight of 493.50 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide is sourced from PubChem (CID 137639212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).