1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea

C20H17FN6O — CID 164615823

IUPAC1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea
SMILESCc1cc(NC(=O)Nc2ccc3ncc(-c4ccn(C)n4)nc3c2)ccc1F
InChIInChI=1S/C20H17FN6O/c1-12-9-13(3-5-15(12)21)23-20(28)24-14-4-6-16-18(10-14)25-19(11-22-16)17-7-8-27(2)26-17/h3-11H,1-2H3,(H2,23,24,28)
InChIKeyVPTVGVQKWFPLTE-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.12
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea

1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea (PubChem CID 164615823) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea
PubChem CID164615823
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea
SMILESCc1cc(NC(=O)Nc2ccc3ncc(-c4ccn(C)n4)nc3c2)ccc1F
InChIInChI=1S/C20H17FN6O/c1-12-9-13(3-5-15(12)21)23-20(28)24-14-4-6-16-18(10-14)25-19(11-22-16)17-7-8-27(2)26-17/h3-11H,1-2H3,(H2,23,24,28)
InChIKeyVPTVGVQKWFPLTE-UHFFFAOYSA-N
XLogP4.12
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671062
1-[4-(3-Amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 11710853
1-Benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 52936268
1-[7-(1-Methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-phenylurea
CID 53236671
1-Benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53236674
1-[7-(1-Methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea
CID 53236676
1-[7-(1-Methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-(2-phenylethyl)urea
CID 53239587
1-Tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53239593
7-(2-(2,5-difluorophenyl)pyridin-4-ylamino)-N-ethyl-1H-pyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670783
7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670784
3-[4-[(4-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118146814
3-[4-[(2-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118146849

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea (CID 164615823) is 1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea is Cc1cc(NC(=O)Nc2ccc3ncc(-c4ccn(C)n4)nc3c2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
The InChIKey is VPTVGVQKWFPLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-12-9-13(3-5-15(12)21)23-20(28)24-14-4-6-16-18(10-14)25-19(11-22-16)17-7-8-27(2)26-17/h3-11H,1-2H3,(H2,23,24,28).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea has a molecular weight of 376.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea is sourced from PubChem (CID 164615823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).