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

C18H17FN4O4 — CID 59588862

IUPACtert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c(F)c1
InChIInChI=1S/C18H17FN4O4/c1-18(2,3)27-17(25)22-10-4-5-12(11(19)8-10)26-13-6-7-20-16-15(13)21-9-14(24)23-16/h4-9H,1-3H3,(H,22,25)(H,20,23,24)
InChIKeyNHUDKZHBYYBZRQ-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.60
Rot. Bonds3

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

tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate (PubChem CID 59588862) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
PubChem CID59588862
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Nametert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c(F)c1
InChIInChI=1S/C18H17FN4O4/c1-18(2,3)27-17(25)22-10-4-5-12(11(19)8-10)26-13-6-7-20-16-15(13)21-9-14(24)23-16/h4-9H,1-3H3,(H,22,25)(H,20,23,24)
InChIKeyNHUDKZHBYYBZRQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
CID 46900574
tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate
CID 147706697
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate
CID 91355190
tert-butyl N-[3-[[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl]cyclopentyl]carbamate
CID 59819804
tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate
CID 59852914
tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate
CID 46900747
1-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-phenylcarbonimidoyl]-3-[3-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
CID 155586283
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-(2-methylbutan-2-ylamino)acetamide
CID 59819813
tert-butyl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]-3-(trifluoromethoxy)phenyl]carbamate
CID 155586386
N'-[3-fluoro-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(4-fluorophenyl)propanediamide
CID 58799048
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate (CID 59588862) is tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c(F)c1.
What is the InChIKey of tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
The InChIKey is NHUDKZHBYYBZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-18(2,3)27-17(25)22-10-4-5-12(11(19)8-10)26-13-6-7-20-16-15(13)21-9-14(24)23-16/h4-9H,1-3H3,(H,22,25)(H,20,23,24).
What are the key properties of tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
tert-butyl N-[3-fluoro-4-[(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-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate is sourced from PubChem (CID 59588862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).