2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one

C105H114F6N12O15 — CID 159926327

IUPAC2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(CC(=O)O)C(=O)C3(C)C)oc12.CC1(C)C(=O)NCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CCC(F)(F)CC3)c2o1.CC1(C)C(=O)NCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CCCCC3)c2o1.COCCN1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O
InChIInChI=1S/C27H32FN3O4.C26H26F3N3O3.C26H28FN3O5.C26H28FN3O3/c1-26(2,3)19-15-20(17-7-9-18(28)10-8-17)29-21-16-22(35-23(19)21)24(32)31-12-11-30(13-14-34-6)25(33)27(31,4)5;1-25(2)24(34)30-11-12-32(25)23(33)21-14-20-22(35-21)18(15-7-9-26(28,29)10-8-15)13-19(31-20)16-3-5-17(27)6-4-16;1-25(2,3)17-12-18(15-6-8-16(27)9-7-15)28-19-13-20(35-22(17)19)23(33)30-11-10-29(14-21(31)32)24(34)26(30,4)5;1-26(2)25(32)28-12-13-30(26)24(31)22-15-21-23(33-22)19(16-6-4-3-5-7-16)14-20(29-21)17-8-10-18(27)11-9-17/h7-10,15-16H,11-14H2,1-6H3;3-6,13-15H,7-12H2,1-2H3,(H,30,34);6-9,12-13H,10-11,14H2,1-5H3,(H,31,32);8-11,14-16H,3-7,12-13H2,1-2H3,(H,28,32)
InChIKeyNZBBJTAZPKCLOY-UHFFFAOYSA-N
MW1898.12 g/mol
LogP19.03
Rot. Bonds15

About 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one

2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 159926327) has the molecular formula C105H114F6N12O15 and a molecular weight of 1898.12 g/mol. Its IUPAC name is 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
PubChem CID159926327
Molecular FormulaC105H114F6N12O15
Molecular Weight1898.12 g/mol
Exact Mass1896.84
IUPAC Name2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(CC(=O)O)C(=O)C3(C)C)oc12.CC1(C)C(=O)NCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CCC(F)(F)CC3)c2o1.CC1(C)C(=O)NCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CCCCC3)c2o1.COCCN1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O
InChIInChI=1S/C27H32FN3O4.C26H26F3N3O3.C26H28FN3O5.C26H28FN3O3/c1-26(2,3)19-15-20(17-7-9-18(28)10-8-17)29-21-16-22(35-23(19)21)24(32)31-12-11-30(13-14-34-6)25(33)27(31,4)5;1-25(2)24(34)30-11-12-32(25)23(33)21-14-20-22(35-21)18(15-7-9-26(28,29)10-8-15)13-19(31-20)16-3-5-17(27)6-4-16;1-25(2,3)17-12-18(15-6-8-16(27)9-7-15)28-19-13-20(35-22(17)19)23(33)30-11-10-29(14-21(31)32)24(34)26(30,4)5;1-26(2)25(32)28-12-13-30(26)24(31)22-15-21-23(33-22)19(16-6-4-3-5-7-16)14-20(29-21)17-8-10-18(27)11-9-17/h7-10,15-16H,11-14H2,1-6H3;3-6,13-15H,7-12H2,1-2H3,(H,30,34);6-9,12-13H,10-11,14H2,1-5H3,(H,31,32);8-11,14-16H,3-7,12-13H2,1-2H3,(H,28,32)
InChIKeyNZBBJTAZPKCLOY-UHFFFAOYSA-N
XLogP19.03
TPSA330.71 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001898.12
LogP ≤ 519.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-4-[7-ethenyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122573823
4-[5-(4-Fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122573827
2-[4-[7-Tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid
CID 122573846
4-[7-Tert-butyl-5-(4-fluoro-3-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122573851
4-[5-(4-Fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122573855
[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
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
4-[7-Butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573895
[7-Tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 122573913

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one (CID 159926327) is 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one is CC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(CC(=O)O)C(=O)C3(C)C)oc12.CC1(C)C(=O)NCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CCC(F)(F)CC3)c2o1.CC1(C)C(=O)NCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CCCCC3)c2o1.COCCN1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O.
What is the InChIKey of 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is NZBBJTAZPKCLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O4.C26H26F3N3O3.C26H28FN3O5.C26H28FN3O3/c1-26(2,3)19-15-20(17-7-9-18(28)10-8-17)29-21-16-22(35-23(19)21)24(32)31-12-11-30(13-14-34-6)25(33)27(31,4)5;1-25(2)24(34)30-11-12-32(25)23(33)21-14-20-22(35-21)18(15-7-9-26(28,29)10-8-15)13-19(31-20)16-3-5-17(27)6-4-16;1-25(2,3)17-12-18(15-6-8-16(27)9-7-15)28-19-13-20(35-22(17)19)23(33)30-11-10-29(14-21(31)32)24(34)26(30,4)5;1-26(2)25(32)28-12-13-30(26)24(31)22-15-21-23(33-22)19(16-6-4-3-5-7-16)14-20(29-21)17-8-10-18(27)11-9-17/h7-10,15-16H,11-14H2,1-6H3;3-6,13-15H,7-12H2,1-2H3,(H,30,34);6-9,12-13H,10-11,14H2,1-5H3,(H,31,32);8-11,14-16H,3-7,12-13H2,1-2H3,(H,28,32).
What are the key properties of 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 1898.12 g/mol, XLogP of 19.03, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid;4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-(2-methoxyethyl)-3,3-dimethylpiperazin-2-one;4-[7-cyclohexyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[7-(4,4-difluorocyclohexyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 159926327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).