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

C23H19FN10 — CID 141456392

IUPAC7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
SMILESCC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)c1nc2n[nH]nc2nc1-c1cnn(C)c1
InChIInChI=1S/C23H19FN10/c1-12(20-21(16-9-27-34(3)11-16)29-23-22(28-20)30-32-31-23)17-5-13-4-14(15-8-26-33(2)10-15)7-25-19(13)6-18(17)24/h4-12H,1-3H3,(H,28,29,30,31,32)
InChIKeyNKIRSVHDNJGHFN-UHFFFAOYSA-N
MW454.47 g/mol
LogP3.39
Rot. Bonds4

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

7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline (PubChem CID 141456392) has the molecular formula C23H19FN10 and a molecular weight of 454.47 g/mol. Its IUPAC name is 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline.

Molecular Properties

Compound Name7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
PubChem CID141456392
Molecular FormulaC23H19FN10
Molecular Weight454.47 g/mol
Exact Mass454.18
IUPAC Name7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
SMILESCC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)c1nc2n[nH]nc2nc1-c1cnn(C)c1
InChIInChI=1S/C23H19FN10/c1-12(20-21(16-9-27-34(3)11-16)29-23-22(28-20)30-32-31-23)17-5-13-4-14(15-8-26-33(2)10-15)7-25-19(13)6-18(17)24/h4-12H,1-3H3,(H,28,29,30,31,32)
InChIKeyNKIRSVHDNJGHFN-UHFFFAOYSA-N
XLogP3.39
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
CID 141456409
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
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
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370339
4-fluoro-1-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138590605
6-ethyl-2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]pyridazin-2-ium-3-amine
CID 143662517
2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
CID 70665637
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline
CID 155549474
1-(4-fluoropiperidin-1-yl)-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 147972137

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
The IUPAC name of 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) is 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
The canonical SMILES for 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline is CC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)c1nc2n[nH]nc2nc1-c1cnn(C)c1.
What is the InChIKey of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
The InChIKey is NKIRSVHDNJGHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN10/c1-12(20-21(16-9-27-34(3)11-16)29-23-22(28-20)30-32-31-23)17-5-13-4-14(15-8-26-33(2)10-15)7-25-19(13)6-18(17)24/h4-12H,1-3H3,(H,28,29,30,31,32).
What are the key properties of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline has a molecular weight of 454.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline is sourced from PubChem (CID 141456392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).