tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate

C18H17FN4O4 — CID 140639509

IUPACtert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1Oc1ccnc2[nH]c(=O)c(F)nc12
InChIInChI=1S/C18H17FN4O4/c1-18(2,3)27-17(25)21-10-6-4-5-7-11(10)26-12-8-9-20-15-13(12)22-14(19)16(24)23-15/h4-9H,1-3H3,(H,21,25)(H,20,23,24)
InChIKeyWTJYQFHSAMQLAC-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.60
Rot. Bonds3

About tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate

tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate (PubChem CID 140639509) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
PubChem CID140639509
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Nametert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1Oc1ccnc2[nH]c(=O)c(F)nc12
InChIInChI=1S/C18H17FN4O4/c1-18(2,3)27-17(25)21-10-6-4-5-7-11(10)26-12-8-9-20-15-13(12)22-14(19)16(24)23-15/h4-9H,1-3H3,(H,21,25)(H,20,23,24)
InChIKeyWTJYQFHSAMQLAC-UHFFFAOYSA-N
XLogP3.60
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

XL844
CID 10016910
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653
N-(2-methoxyphenyl)-N'-pyridin-2-yloxamide
CID 2907831
N-(2-methoxyphenyl)-N'-2-pyrazinylurea
CID 6470803
1-[4-[(2-amino-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 44131713
1-(2-Fluoro-5-(trifluoromethyl)phenyl)-3-(2-fluoro-4-(3-oxo-3,4-dihydro pyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 44133914
1-(2-Fluoro-4-(2-methyl-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 44134089
N-(2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5055611
Pyridoimidazolone, 5l
CID 42626267
N-(4-(3-(4-(pyridin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2f)
CID 91937744
Pyridoimidazolone, 5b
CID 42626129

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate (CID 140639509) is tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1Oc1ccnc2[nH]c(=O)c(F)nc12.
What is the InChIKey of tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
The InChIKey is WTJYQFHSAMQLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-18(2,3)27-17(25)21-10-6-4-5-7-11(10)26-12-8-9-20-15-13(12)22-14(19)16(24)23-15/h4-9H,1-3H3,(H,21,25)(H,20,23,24).
What are the key properties of tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate has a molecular weight of 372.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate is sourced from PubChem (CID 140639509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).