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

C29H26FN5O3 — CID 147343338

IUPAC8-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCC(C)(C)c1cc(CC(=O)Cc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(-c2ccccc2)n1
InChIInChI=1S/C29H26FN5O3/c1-29(2,3)25-15-20(35(34-25)19-7-5-4-6-8-19)14-21(36)13-18-9-10-22(16-23(18)30)38-24-11-12-31-28-27(24)32-17-26(37)33-28/h4-12,15-17H,13-14H2,1-3H3,(H,31,33,37)
InChIKeyDDYBAYFPPCLPIJ-UHFFFAOYSA-N
MW511.56 g/mol
LogP5.09
Rot. Bonds7

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

8-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 147343338) has the molecular formula C29H26FN5O3 and a molecular weight of 511.56 g/mol. Its IUPAC name is 8-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID147343338
Molecular FormulaC29H26FN5O3
Molecular Weight511.56 g/mol
Exact Mass511.20
IUPAC Name8-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCC(C)(C)c1cc(CC(=O)Cc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(-c2ccccc2)n1
InChIInChI=1S/C29H26FN5O3/c1-29(2,3)25-15-20(35(34-25)19-7-5-4-6-8-19)14-21(36)13-18-9-10-22(16-23(18)30)38-24-11-12-31-28-27(24)32-17-26(37)33-28/h4-12,15-17H,13-14H2,1-3H3,(H,31,33,37)
InChIKeyDDYBAYFPPCLPIJ-UHFFFAOYSA-N
XLogP5.09
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Cct196969
CID 42628843
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-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 44132534
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
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 44133911

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-(3-tert-butyl-1-phenylpyrazol-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-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (CID 147343338) is 8-[4-[3-(3-tert-butyl-1-phenylpyrazol-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-phenylpyrazol-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-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is CC(C)(C)c1cc(CC(=O)Cc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(-c2ccccc2)n1.
What is the InChIKey of 8-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is DDYBAYFPPCLPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O3/c1-29(2,3)25-15-20(35(34-25)19-7-5-4-6-8-19)14-21(36)13-18-9-10-22(16-23(18)30)38-24-11-12-31-28-27(24)32-17-26(37)33-28/h4-12,15-17H,13-14H2,1-3H3,(H,31,33,37).
What are the key properties of 8-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
8-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 511.56 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 147343338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).