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

C20H22ClN5O3 — CID 138539557

IUPACN-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1nc2oc(Cl)cc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C20H22ClN5O3/c1-12-8-13(2)10-14(9-12)25-4-6-26(7-5-25)20(27)23-17-19(28-3)24-18-15(22-17)11-16(21)29-18/h8-11H,4-7H2,1-3H3,(H,22,23,27)
InChIKeyOVRTVIRCWVYCEB-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.86
Rot. Bonds3

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

N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 138539557) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID138539557
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC NameN-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1nc2oc(Cl)cc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C20H22ClN5O3/c1-12-8-13(2)10-14(9-12)25-4-6-26(7-5-25)20(27)23-17-19(28-3)24-18-15(22-17)11-16(21)29-18/h8-11H,4-7H2,1-3H3,(H,22,23,27)
InChIKeyOVRTVIRCWVYCEB-UHFFFAOYSA-N
XLogP3.86
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide with MolForge

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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-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]piperazine-1-carboxamide
CID 138539523
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
N-(6-chloro-3-ethoxyfuro[2,3-b]pyrazin-2-yl)-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 138539510
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
N-(6-chloro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 69243801
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244851
N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 66918089
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (CID 138539557) is N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is COc1nc2oc(Cl)cc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is OVRTVIRCWVYCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-12-8-13(2)10-14(9-12)25-4-6-26(7-5-25)20(27)23-17-19(28-3)24-18-15(22-17)11-16(21)29-18/h8-11H,4-7H2,1-3H3,(H,22,23,27).
What are the key properties of N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 138539557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).