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

C68H90ClF6N9O9 — CID 158295650

IUPAC4-(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
SMILESC.C.CC(C)(C)c1cc(C2=CCC(F)(F)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(Cl)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.FF
InChIInChI=1S/C24H31F2N3O3.C24H29F2N3O3.C18H22ClN3O3.2CH4.F2/c2*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;1-17(2,3)10-8-13(19)21-11-9-12(25-14(10)11)15(23)22-7-6-20-16(24)18(22,4)5;;;1-2/h12-14H,6-11H2,1-5H3,(H,27,31);6,12-13H,7-11H2,1-5H3,(H,27,31);8-9H,6-7H2,1-5H3,(H,20,24);2*1H4;
InChIKeyGLWLKTVDPSHLRH-UHFFFAOYSA-N
MW1326.96 g/mol
LogP14.69
Rot. Bonds5

About 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

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 (PubChem CID 158295650) has the molecular formula C68H90ClF6N9O9 and a molecular weight of 1326.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158295650
Molecular FormulaC68H90ClF6N9O9
Molecular Weight1326.96 g/mol
Exact Mass1325.65
IUPAC Name4-(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
SMILESC.C.CC(C)(C)c1cc(C2=CCC(F)(F)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(Cl)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.FF
InChIInChI=1S/C24H31F2N3O3.C24H29F2N3O3.C18H22ClN3O3.2CH4.F2/c2*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;1-17(2,3)10-8-13(19)21-11-9-12(25-14(10)11)15(23)22-7-6-20-16(24)18(22,4)5;;;1-2/h12-14H,6-11H2,1-5H3,(H,27,31);6,12-13H,7-11H2,1-5H3,(H,27,31);8-9H,6-7H2,1-5H3,(H,20,24);2*1H4;
InChIKeyGLWLKTVDPSHLRH-UHFFFAOYSA-N
XLogP14.69
TPSA226.32 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001326.96
LogP ≤ 514.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

4-[7-Tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573821
4-[2-[4-[7-Tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-oxoethyl]oxane-4-carboxylic acid
CID 122573826
[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[(3R)-1,1-dioxo-1,2-thiazolidin-3-yl]methanone
CID 122573845
[7-Tert-butyl-5-[4-(trifluoromethyl)phenyl]furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 122573859
[7-Tert-butyl-5-[4-(trifluoromethyl)phenyl]furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 122573860
4-[7-(4,4-Difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573865
cis-(1S,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 122573869
4-[7-Tert-butyl-5-(4,4-difluorocyclohexen-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573874
cis-(1R,2S)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 122573875
[7-Chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 122573881
4-[7-Tert-butyl-5-(4-fluoro-3-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573884
4-[7-Tert-butyl-5-[4-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573887

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(C)(C)c1cc(C2=CCC(F)(F)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC(C)(C)c1cc(Cl)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.FF.
What is the InChIKey of 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?
The InChIKey is GLWLKTVDPSHLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3O3.C24H29F2N3O3.C18H22ClN3O3.2CH4.F2/c2*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;1-17(2,3)10-8-13(19)21-11-9-12(25-14(10)11)15(23)22-7-6-20-16(24)18(22,4)5;;;1-2/h12-14H,6-11H2,1-5H3,(H,27,31);6,12-13H,7-11H2,1-5H3,(H,27,31);8-9H,6-7H2,1-5H3,(H,20,24);2*1H4;.
What are the key properties of 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?
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 has a molecular weight of 1326.96 g/mol, XLogP of 14.69, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158295650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).