4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one

C100H131F3N12O14S — CID 158853646

IUPAC4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)CCS(C)(=O)=O)CC3(C)C)oc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(C2CCCC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(C2CCCCCC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12
InChIInChI=1S/C28H34FN3O5S.C25H35N3O3.C24H31F2N3O3.C23H31N3O3/c1-27(2,3)20-15-21(18-7-9-19(29)10-8-18)30-22-16-23(37-25(20)22)26(34)32-13-12-31(17-28(32,4)5)24(33)11-14-38(6,35)36;1-24(2,3)17-14-18(16-10-8-6-7-9-11-16)27-19-15-20(31-21(17)19)22(29)28-13-12-26-23(30)25(28,4)5;1-22(2,3)15-12-16(14-6-8-24(25,26)9-7-14)28-17-13-18(32-19(15)17)20(30)29-11-10-27-21(31)23(29,4)5;1-22(2,3)15-12-16(14-8-6-7-9-14)25-17-13-18(29-19(15)17)20(27)26-11-10-24-21(28)23(26,4)5/h7-10,15-16H,11-14,17H2,1-6H3;14-16H,6-13H2,1-5H3,(H,26,30);12-14H,6-11H2,1-5H3,(H,27,31);12-14H,6-11H2,1-5H3,(H,24,28)
InChIKeyIZTQSRJLASKGGQ-UHFFFAOYSA-N
MW1814.28 g/mol
LogP18.25
Rot. Bonds11

About 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one

4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one (PubChem CID 158853646) has the molecular formula C100H131F3N12O14S and a molecular weight of 1814.28 g/mol. Its IUPAC name is 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
PubChem CID158853646
Molecular FormulaC100H131F3N12O14S
Molecular Weight1814.28 g/mol
Exact Mass1812.96
IUPAC Name4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)CCS(C)(=O)=O)CC3(C)C)oc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(C2CCCC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(C2CCCCCC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12
InChIInChI=1S/C28H34FN3O5S.C25H35N3O3.C24H31F2N3O3.C23H31N3O3/c1-27(2,3)20-15-21(18-7-9-19(29)10-8-18)30-22-16-23(37-25(20)22)26(34)32-13-12-31(17-28(32,4)5)24(33)11-14-38(6,35)36;1-24(2,3)17-14-18(16-10-8-6-7-9-11-16)27-19-15-20(31-21(17)19)22(29)28-13-12-26-23(30)25(28,4)5;1-22(2,3)15-12-16(14-6-8-24(25,26)9-7-14)28-17-13-18(32-19(15)17)20(30)29-11-10-27-21(31)23(29,4)5;1-22(2,3)15-12-16(14-8-6-7-9-14)25-17-13-18(29-19(15)17)20(27)26-11-10-24-21(28)23(26,4)5/h7-10,15-16H,11-14,17H2,1-6H3;14-16H,6-13H2,1-5H3,(H,26,30);12-14H,6-11H2,1-5H3,(H,27,31);12-14H,6-11H2,1-5H3,(H,24,28)
InChIKeyIZTQSRJLASKGGQ-UHFFFAOYSA-N
XLogP18.25
TPSA327.11 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.28
LogP ≤ 518.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-[7-(4,4-Difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573865
(2,2-Dimethyl-4-propylsulfonylpiperazin-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone
CID 122574204
[7-Tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(4-cyclopropylsulfonyl-2,2-dimethylpiperazin-1-yl)methanone
CID 134296634
1-[4-[7-Tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 134296640
2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 134296644
N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 134296645
3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide
CID 134296649
1-[4-[7-Tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 134296651
4-[7-(4,4-Dimethylcyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 134296669
2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 134296964
N-[2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 134296966
4-(7-Tert-butyl-5-chlorofuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexen-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;molecular fluorine
CID 158295650

Frequently Asked Questions

What is the IUPAC name of 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one?
The IUPAC name of 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one (CID 158853646) is 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one.
What is the SMILES notation for 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one?
The canonical SMILES for 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one is CC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)CCS(C)(=O)=O)CC3(C)C)oc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(C2CCCC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(C2CCCCCC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.
What is the InChIKey of 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one?
The InChIKey is IZTQSRJLASKGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O5S.C25H35N3O3.C24H31F2N3O3.C23H31N3O3/c1-27(2,3)20-15-21(18-7-9-19(29)10-8-18)30-22-16-23(37-25(20)22)26(34)32-13-12-31(17-28(32,4)5)24(33)11-14-38(6,35)36;1-24(2,3)17-14-18(16-10-8-6-7-9-11-16)27-19-15-20(31-21(17)19)22(29)28-13-12-26-23(30)25(28,4)5;1-22(2,3)15-12-16(14-6-8-24(25,26)9-7-14)28-17-13-18(32-19(15)17)20(30)29-11-10-27-21(31)23(29,4)5;1-22(2,3)15-12-16(14-8-6-7-9-14)25-17-13-18(29-19(15)17)20(27)26-11-10-24-21(28)23(26,4)5/h7-10,15-16H,11-14,17H2,1-6H3;14-16H,6-13H2,1-5H3,(H,26,30);12-14H,6-11H2,1-5H3,(H,27,31);12-14H,6-11H2,1-5H3,(H,24,28).
What are the key properties of 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one?
4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one has a molecular weight of 1814.28 g/mol, XLogP of 18.25, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-tert-butyl-5-cycloheptylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-(7-tert-butyl-5-cyclopentylfuro[3,2-b]pyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-methylsulfonylpropan-1-one is sourced from PubChem (CID 158853646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).