[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one

C110H142F6N18O12 — CID 161220202

IUPAC[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one
SMILESCC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(C(=O)C4=NN=CC4)CC3(C)C)oc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(c4cn[nH]c4)C(=O)C3(C)C)oc12.CN1CCN(C(=O)c2cc3nc(C4CCC(F)(F)CC4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O.Cc1cc(N2CCN(C(=O)c3cc4nc(C5CCC(C)(C)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2=O)n[nH]1
InChIInChI=1S/C30H41N5O3.C28H35F2N5O3.C27H33F2N5O3.C25H33F2N3O3/c1-18-15-24(33-32-18)34-13-14-35(30(7,8)27(34)37)26(36)23-17-22-25(38-23)20(28(2,3)4)16-21(31-22)19-9-11-29(5,6)12-10-19;1-26(2,3)18-14-20(17-6-9-28(29,30)10-7-17)32-21-15-22(38-23(18)21)25(37)35-13-12-34(16-27(35,4)5)24(36)19-8-11-31-33-19;1-25(2,3)18-12-19(16-6-8-27(28,29)9-7-16)32-20-13-21(37-22(18)20)23(35)34-11-10-33(17-14-30-31-15-17)24(36)26(34,4)5;1-23(2,3)16-13-17(15-7-9-25(26,27)10-8-15)28-18-14-19(33-20(16)18)21(31)30-12-11-29(6)22(32)24(30,4)5/h15-17,19H,9-14H2,1-8H3,(H,32,33);11,14-15,17H,6-10,12-13,16H2,1-5H3;12-16H,6-11H2,1-5H3,(H,30,31);13-15H,7-12H2,1-6H3
InChIKeyUXKBGVSRGVOBCM-UHFFFAOYSA-N
MW2022.45 g/mol
LogP21.94
Rot. Bonds11

About [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one

[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one (PubChem CID 161220202) has the molecular formula C110H142F6N18O12 and a molecular weight of 2022.45 g/mol. Its IUPAC name is [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one
PubChem CID161220202
Molecular FormulaC110H142F6N18O12
Molecular Weight2022.45 g/mol
Exact Mass2021.10
IUPAC Name[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one
SMILESCC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(C(=O)C4=NN=CC4)CC3(C)C)oc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(c4cn[nH]c4)C(=O)C3(C)C)oc12.CN1CCN(C(=O)c2cc3nc(C4CCC(F)(F)CC4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O.Cc1cc(N2CCN(C(=O)c3cc4nc(C5CCC(C)(C)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2=O)n[nH]1
InChIInChI=1S/C30H41N5O3.C28H35F2N5O3.C27H33F2N5O3.C25H33F2N3O3/c1-18-15-24(33-32-18)34-13-14-35(30(7,8)27(34)37)26(36)23-17-22-25(38-23)20(28(2,3)4)16-21(31-22)19-9-11-29(5,6)12-10-19;1-26(2,3)18-14-20(17-6-9-28(29,30)10-7-17)32-21-15-22(38-23(18)21)25(37)35-13-12-34(16-27(35,4)5)24(36)19-8-11-31-33-19;1-25(2,3)18-12-19(16-6-8-27(28,29)9-7-16)32-20-13-21(37-22(18)20)23(35)34-11-10-33(17-14-30-31-15-17)24(36)26(34,4)5;1-23(2,3)16-13-17(15-7-9-25(26,27)10-8-15)28-18-14-19(33-20(16)18)21(31)30-12-11-29(6)22(32)24(30,4)5/h15-17,19H,9-14H2,1-8H3,(H,32,33);11,14-15,17H,6-10,12-13,16H2,1-5H3;12-16H,6-11H2,1-5H3,(H,30,31);13-15H,7-12H2,1-6H3
InChIKeyUXKBGVSRGVOBCM-UHFFFAOYSA-N
XLogP21.94
TPSA348.68 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002022.45
LogP ≤ 521.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one?
The IUPAC name of [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one (CID 161220202) is [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one.
What is the SMILES notation for [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one?
The canonical SMILES for [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one is CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(C(=O)C4=NN=CC4)CC3(C)C)oc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(c4cn[nH]c4)C(=O)C3(C)C)oc12.CN1CCN(C(=O)c2cc3nc(C4CCC(F)(F)CC4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O.Cc1cc(N2CCN(C(=O)c3cc4nc(C5CCC(C)(C)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2=O)n[nH]1.
What is the InChIKey of [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one?
The InChIKey is UXKBGVSRGVOBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O3.C28H35F2N5O3.C27H33F2N5O3.C25H33F2N3O3/c1-18-15-24(33-32-18)34-13-14-35(30(7,8)27(34)37)26(36)23-17-22-25(38-23)20(28(2,3)4)16-21(31-22)19-9-11-29(5,6)12-10-19;1-26(2,3)18-14-20(17-6-9-28(29,30)10-7-17)32-21-15-22(38-23(18)21)25(37)35-13-12-34(16-27(35,4)5)24(36)19-8-11-31-33-19;1-25(2,3)18-12-19(16-6-8-27(28,29)9-7-16)32-20-13-21(37-22(18)20)23(35)34-11-10-33(17-14-30-31-15-17)24(36)26(34,4)5;1-23(2,3)16-13-17(15-7-9-25(26,27)10-8-15)28-18-14-19(33-20(16)18)21(31)30-12-11-29(6)22(32)24(30,4)5/h15-17,19H,9-14H2,1-8H3,(H,32,33);11,14-15,17H,6-10,12-13,16H2,1-5H3;12-16H,6-11H2,1-5H3,(H,30,31);13-15H,7-12H2,1-6H3.
What are the key properties of [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one?
[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one has a molecular weight of 2022.45 g/mol, XLogP of 21.94, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4H-pyrazol-3-yl)methanone;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one is sourced from PubChem (CID 161220202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).