[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone

C122H128ClF7N12O14 — CID 161270840

IUPAC[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone
SMILESCC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(C(F)(F)F)CC5)CC4(C)C)oc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(O)CCC5)CC4(C)C)oc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(c6ccc(Cl)cc6)CC5)CC4(C)C)oc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5CCOCC5)CC4(C)C)oc23)CC1
InChIInChI=1S/C34H33ClFN3O3.C30H34FN3O4.C29H29F4N3O3.C29H32FN3O4/c1-32(2)20-38(31(41)34(14-15-34)22-6-8-23(35)9-7-22)16-17-39(32)30(40)28-19-27-29(42-28)25(33(3)12-13-33)18-26(37-27)21-4-10-24(36)11-5-21;1-29(2)18-33(27(35)20-8-14-37-15-9-20)12-13-34(29)28(36)25-17-24-26(38-25)22(30(3)10-11-30)16-23(32-24)19-4-6-21(31)7-5-19;1-26(2)16-35(25(38)28(10-11-28)29(31,32)33)12-13-36(26)24(37)22-15-21-23(39-22)19(27(3)8-9-27)14-20(34-21)17-4-6-18(30)7-5-17;1-27(2)17-32(26(35)29(36)9-4-10-29)13-14-33(27)25(34)23-16-22-24(37-23)20(28(3)11-12-28)15-21(31-22)18-5-7-19(30)8-6-18/h4-11,18-19H,12-17,20H2,1-3H3;4-7,16-17,20H,8-15,18H2,1-3H3;4-7,14-15H,8-13,16H2,1-3H3;5-8,15-16,36H,4,9-14,17H2,1-3H3
InChIKeyVDUFLZQWAJNFNR-UHFFFAOYSA-N
MW2154.87 g/mol
LogP23.06
Rot. Bonds17

About [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone

[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone (PubChem CID 161270840) has the molecular formula C122H128ClF7N12O14 and a molecular weight of 2154.87 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone
PubChem CID161270840
Molecular FormulaC122H128ClF7N12O14
Molecular Weight2154.87 g/mol
Exact Mass2152.92
IUPAC Name[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone
SMILESCC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(C(F)(F)F)CC5)CC4(C)C)oc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(O)CCC5)CC4(C)C)oc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(c6ccc(Cl)cc6)CC5)CC4(C)C)oc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5CCOCC5)CC4(C)C)oc23)CC1
InChIInChI=1S/C34H33ClFN3O3.C30H34FN3O4.C29H29F4N3O3.C29H32FN3O4/c1-32(2)20-38(31(41)34(14-15-34)22-6-8-23(35)9-7-22)16-17-39(32)30(40)28-19-27-29(42-28)25(33(3)12-13-33)18-26(37-27)21-4-10-24(36)11-5-21;1-29(2)18-33(27(35)20-8-14-37-15-9-20)12-13-34(29)28(36)25-17-24-26(38-25)22(30(3)10-11-30)16-23(32-24)19-4-6-21(31)7-5-19;1-26(2)16-35(25(38)28(10-11-28)29(31,32)33)12-13-36(26)24(37)22-15-21-23(39-22)19(27(3)8-9-27)14-20(34-21)17-4-6-18(30)7-5-17;1-27(2)17-32(26(35)29(36)9-4-10-29)13-14-33(27)25(34)23-16-22-24(37-23)20(28(3)11-12-28)15-21(31-22)18-5-7-19(30)8-6-18/h4-11,18-19H,12-17,20H2,1-3H3;4-7,16-17,20H,8-15,18H2,1-3H3;4-7,14-15H,8-13,16H2,1-3H3;5-8,15-16,36H,4,9-14,17H2,1-3H3
InChIKeyVDUFLZQWAJNFNR-UHFFFAOYSA-N
XLogP23.06
TPSA296.06 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002154.87
LogP ≤ 523.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone?
The IUPAC name of [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone (CID 161270840) is [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone is CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(C(F)(F)F)CC5)CC4(C)C)oc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(O)CCC5)CC4(C)C)oc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(c6ccc(Cl)cc6)CC5)CC4(C)C)oc23)CC1.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5CCOCC5)CC4(C)C)oc23)CC1.
What is the InChIKey of [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone?
The InChIKey is VDUFLZQWAJNFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClFN3O3.C30H34FN3O4.C29H29F4N3O3.C29H32FN3O4/c1-32(2)20-38(31(41)34(14-15-34)22-6-8-23(35)9-7-22)16-17-39(32)30(40)28-19-27-29(42-28)25(33(3)12-13-33)18-26(37-27)21-4-10-24(36)11-5-21;1-29(2)18-33(27(35)20-8-14-37-15-9-20)12-13-34(29)28(36)25-17-24-26(38-25)22(30(3)10-11-30)16-23(32-24)19-4-6-21(31)7-5-19;1-26(2)16-35(25(38)28(10-11-28)29(31,32)33)12-13-36(26)24(37)22-15-21-23(39-22)19(27(3)8-9-27)14-20(34-21)17-4-6-18(30)7-5-17;1-27(2)17-32(26(35)29(36)9-4-10-29)13-14-33(27)25(34)23-16-22-24(37-23)20(28(3)11-12-28)15-21(31-22)18-5-7-19(30)8-6-18/h4-11,18-19H,12-17,20H2,1-3H3;4-7,16-17,20H,8-15,18H2,1-3H3;4-7,14-15H,8-13,16H2,1-3H3;5-8,15-16,36H,4,9-14,17H2,1-3H3.
What are the key properties of [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone?
[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone has a molecular weight of 2154.87 g/mol, XLogP of 23.06, 17 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(oxan-4-yl)methanone;[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 161270840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).