8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one

C29H27FN6O4 — CID 147042471

IUPAC8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2CC(=O)Cc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)cn1
InChIInChI=1S/C29H27FN6O4/c1-29(2,3)24-13-19(36(35-24)18-6-8-26(39-4)32-15-18)12-20(37)11-17-5-7-21(14-22(17)30)40-23-9-10-31-28-27(23)33-16-25(38)34-28/h5-10,13-16H,11-12H2,1-4H3,(H,31,34,38)
InChIKeyAZSHFESHRMLPSC-UHFFFAOYSA-N
MW542.57 g/mol
LogP4.49
Rot. Bonds8

About 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one

8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 147042471) has the molecular formula C29H27FN6O4 and a molecular weight of 542.57 g/mol. Its IUPAC name is 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID147042471
Molecular FormulaC29H27FN6O4
Molecular Weight542.57 g/mol
Exact Mass542.21
IUPAC Name8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2CC(=O)Cc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)cn1
InChIInChI=1S/C29H27FN6O4/c1-29(2,3)24-13-19(36(35-24)18-6-8-26(39-4)32-15-18)12-20(37)11-17-5-7-21(14-22(17)30)40-23-9-10-31-28-27(23)33-16-25(38)34-28/h5-10,13-16H,11-12H2,1-4H3,(H,31,34,38)
InChIKeyAZSHFESHRMLPSC-UHFFFAOYSA-N
XLogP4.49
TPSA124.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one with MolForge

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Related Compounds

Cct196969
CID 42628843
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]urea
CID 44132041
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-fluoro-4-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
CID 44132209
1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 44132212
1-(3-Tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2,3-dioxo-1,2,3,4-tetrahydropyrido[3,2-b]pyrazin-8-yloxy)-2-fluorophenyl)urea
CID 44132533
1-[4-[(2-amino-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 44133177
1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-(3-methyl-2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 44133545
N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)benzamide
CID 44133720
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 44133728
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 44133906
2-(4-fluorophenyl)-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 46208889

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (CID 147042471) is 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is COc1ccc(-n2nc(C(C)(C)C)cc2CC(=O)Cc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)cn1.
What is the InChIKey of 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is AZSHFESHRMLPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O4/c1-29(2,3)24-13-19(36(35-24)18-6-8-26(39-4)32-15-18)12-20(37)11-17-5-7-21(14-22(17)30)40-23-9-10-31-28-27(23)33-16-25(38)34-28/h5-10,13-16H,11-12H2,1-4H3,(H,31,34,38).
What are the key properties of 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 542.57 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 147042471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).