N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

C20H19ClF3N5O4 — CID 138539510

IUPACN-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCCOc1nc2oc(Cl)cc2nc1NC(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H19ClF3N5O4/c1-2-31-18-16(25-14-11-15(21)32-17(14)27-18)26-19(30)29-8-6-28(7-9-29)12-4-3-5-13(10-12)33-20(22,23)24/h3-5,10-11H,2,6-9H2,1H3,(H,25,26,30)
InChIKeyGEKPRLMRWXPSMI-UHFFFAOYSA-N
MW485.85 g/mol
LogP4.53
Rot. Bonds5

About N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 138539510) has the molecular formula C20H19ClF3N5O4 and a molecular weight of 485.85 g/mol. Its IUPAC name is N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID138539510
Molecular FormulaC20H19ClF3N5O4
Molecular Weight485.85 g/mol
Exact Mass485.11
IUPAC NameN-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCCOc1nc2oc(Cl)cc2nc1NC(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H19ClF3N5O4/c1-2-31-18-16(25-14-11-15(21)32-17(14)27-18)26-19(30)29-8-6-28(7-9-29)12-4-3-5-13(10-12)33-20(22,23)24/h3-5,10-11H,2,6-9H2,1H3,(H,25,26,30)
InChIKeyGEKPRLMRWXPSMI-UHFFFAOYSA-N
XLogP4.53
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.85
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide
CID 138539475
N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 138539557
N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide
CID 138539523
4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244515
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 161408977
4-[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 70803006
4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69241684
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244851

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (CID 138539510) is N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is CCOc1nc2oc(Cl)cc2nc1NC(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is GEKPRLMRWXPSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O4/c1-2-31-18-16(25-14-11-15(21)32-17(14)27-18)26-19(30)29-8-6-28(7-9-29)12-4-3-5-13(10-12)33-20(22,23)24/h3-5,10-11H,2,6-9H2,1H3,(H,25,26,30).
What are the key properties of N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 485.85 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 138539510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).