N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide

C19H19ClFN5O4 — CID 138539475

IUPACN-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(F)cc(N2CCN(C(=O)Nc3nc4cc(Cl)oc4nc3OC)CC2)c1
InChIInChI=1S/C19H19ClFN5O4/c1-28-13-8-11(21)7-12(9-13)25-3-5-26(6-4-25)19(27)23-16-18(29-2)24-17-14(22-16)10-15(20)30-17/h7-10H,3-6H2,1-2H3,(H,22,23,27)
InChIKeyYPKMNFDVCIKWKK-UHFFFAOYSA-N
MW435.84 g/mol
LogP3.39
Rot. Bonds4

About N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide

N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 138539475) has the molecular formula C19H19ClFN5O4 and a molecular weight of 435.84 g/mol. Its IUPAC name is N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide
PubChem CID138539475
Molecular FormulaC19H19ClFN5O4
Molecular Weight435.84 g/mol
Exact Mass435.11
IUPAC NameN-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(F)cc(N2CCN(C(=O)Nc3nc4cc(Cl)oc4nc3OC)CC2)c1
InChIInChI=1S/C19H19ClFN5O4/c1-28-13-8-11(21)7-12(9-13)25-3-5-26(6-4-25)19(27)23-16-18(29-2)24-17-14(22-16)10-15(20)30-17/h7-10H,3-6H2,1-2H3,(H,22,23,27)
InChIKeyYPKMNFDVCIKWKK-UHFFFAOYSA-N
XLogP3.39
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.84
LogP ≤ 53.39
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-(3,5-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-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 138539510
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 66918089
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276
N-[2-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-3-fluoro-5-methoxyphenyl]piperazine-1-carboxamide
CID 153448384
4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244515
N-(6-chloro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 69243801
4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 11524654
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-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide (CID 138539475) is N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide is COc1cc(F)cc(N2CCN(C(=O)Nc3nc4cc(Cl)oc4nc3OC)CC2)c1.
What is the InChIKey of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is YPKMNFDVCIKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O4/c1-28-13-8-11(21)7-12(9-13)25-3-5-26(6-4-25)19(27)23-16-18(29-2)24-17-14(22-16)10-15(20)30-17/h7-10H,3-6H2,1-2H3,(H,22,23,27).
What are the key properties of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide?
N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 435.84 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3-fluoro-5-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 138539475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).