[3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate

C127H125Cl5N14O13 — CID 159948474

About [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate

[3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate (PubChem CID 159948474) has the molecular formula C127H125Cl5N14O13 and a molecular weight of 2232.75 g/mol. Its IUPAC name is [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate.

Molecular Properties

• Compound Name: [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate
• PubChem CID: 159948474
• Molecular Formula: C127H125Cl5N14O13
• Molecular Weight: 2232.75 g/mol
• Exact Mass: 2228.80
• IUPAC Name: [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate
• SMILES: CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C4OCCO4)c3)c2)c(Cl)c1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5OCCO5)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4CCC5)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4CCCO5)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4OCCO5)c3)c(Cl)c2)CC1
• InChI: InChI=1S/C26H26ClN3O3.C26H26ClN3O2.C26H26ClN3O.C25H24ClN3O3.C24H23ClN2O4/c1-17-5-8-30(9-6-17)25(31)19-2-3-22(23(27)13-19)21-12-20(15-28-16-21)18-4-7-29-24(14-18)26-32-10-11-33-26;1-17-7-10-30(11-8-17)26(31)18-4-5-22(24(27)14-18)20-13-19(15-28-16-20)21-6-9-29-25-23(21)3-2-12-32-25;1-17-8-11-30(12-9-17)26(31)18-5-6-22(24(27)14-18)20-13-19(15-28-16-20)21-7-10-29-25-4-2-3-23(21)25;1-16-5-8-29(9-6-16)25(30)17-2-3-20(22(26)13-17)18-12-19(15-27-14-18)21-4-7-28-24-23(21)31-10-11-32-24;1-15(2)31-23(28)10-16-3-4-20(21(25)9-16)19-11-18(13-26-14-19)17-5-6-27-22(12-17)24-29-7-8-30-24/h2-4,7,12-17,26H,5-6,8-11H2,1H3;4-6,9,13-17H,2-3,7-8,10-12H2,1H3;5-7,10,13-17H,2-4,8-9,11-12H2,1H3;2-4,7,12-16H,5-6,8-11H2,1H3;3-6,9,11-15,24H,7-8,10H2,1-2H3
• InChIKey: OBUJEKFRMPDNSS-UHFFFAOYSA-N
• XLogP: 26.98
• TPSA: 301.05 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2232.75
LogP ≤ 5	26.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate?

The IUPAC name of [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate (CID 159948474) is [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate.

What is the SMILES notation for [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate?

The canonical SMILES for [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate is CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C4OCCO4)c3)c2)c(Cl)c1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5OCCO5)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4CCC5)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4CCCO5)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4OCCO5)c3)c(Cl)c2)CC1.

What is the InChIKey of [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate?

The InChIKey is OBUJEKFRMPDNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3.C26H26ClN3O2.C26H26ClN3O.C25H24ClN3O3.C24H23ClN2O4/c1-17-5-8-30(9-6-17)25(31)19-2-3-22(23(27)13-19)21-12-20(15-28-16-21)18-4-7-29-24(14-18)26-32-10-11-33-26;1-17-7-10-30(11-8-17)26(31)18-4-5-22(24(27)14-18)20-13-19(15-28-16-20)21-6-9-29-25-23(21)3-2-12-32-25;1-17-8-11-30(12-9-17)26(31)18-5-6-22(24(27)14-18)20-13-19(15-28-16-20)21-7-10-29-25-4-2-3-23(21)25;1-16-5-8-29(9-6-16)25(30)17-2-3-20(22(26)13-17)18-12-19(15-27-14-18)21-4-7-28-24-23(21)31-10-11-32-24;1-15(2)31-23(28)10-16-3-4-20(21(25)9-16)19-11-18(13-26-14-19)17-5-6-27-22(12-17)24-29-7-8-30-24/h2-4,7,12-17,26H,5-6,8-11H2,1H3;4-6,9,13-17H,2-3,7-8,10-12H2,1H3;5-7,10,13-17H,2-4,8-9,11-12H2,1H3;2-4,7,12-16H,5-6,8-11H2,1H3;3-6,9,11-15,24H,7-8,10H2,1-2H3.

What are the key properties of [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate?

[3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate has a molecular weight of 2232.75 g/mol, XLogP of 26.98, 19 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-4-[5-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate is sourced from PubChem (CID 159948474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).