[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate

C145H135Cl6N17O11 — CID 161385566

About [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate

[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate (PubChem CID 161385566) has the molecular formula C145H135Cl6N17O11 and a molecular weight of 2504.50 g/mol. Its IUPAC name is [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate.

Molecular Properties

• Compound Name: [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate
• PubChem CID: 161385566
• Molecular Formula: C145H135Cl6N17O11
• Molecular Weight: 2504.50 g/mol
• Exact Mass: 2499.87
• IUPAC Name: [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate
• SMILES: CC1C2CCC1CN(C(=O)c1ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c1)C2.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)C1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1.Cc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1.O=C(Nc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1)OC1CC1.O=C(c1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1)N1CCCC1CO
• InChI: InChI=1S/C28H28ClN3O.C26H26ClN3O.C25H24ClN3O2.C25H24ClN3O.C22H18ClN3O4.C19H15ClN2O2/c1-17-21-4-5-22(17)16-32(15-21)28(33)20-6-7-25(26(29)11-20)24-10-23(13-30-14-24)19-8-9-31-27(12-19)18-2-3-18;1-17-7-10-30(11-8-17)26(31)20-4-5-23(24(27)13-20)22-12-21(15-28-16-22)19-6-9-29-25(14-19)18-2-3-18;26-23-11-18(25(31)29-9-1-2-21(29)15-30)5-6-22(23)20-10-19(13-27-14-20)17-7-8-28-24(12-17)16-3-4-16;1-16-7-9-29(15-16)25(30)19-4-5-22(23(26)11-19)21-10-20(13-27-14-21)18-6-8-28-24(12-18)17-2-3-17;23-19-10-15(26-22(27)30-16-2-3-16)1-4-17(19)13-9-14(12-24-11-13)18-5-6-25-21-20(18)28-7-8-29-21;1-12-2-3-15(17(20)8-12)13-9-14(11-21-10-13)16-4-5-22-19-18(16)23-6-7-24-19/h6-14,17-18,21-22H,2-5,15-16H2,1H3;4-6,9,12-18H,2-3,7-8,10-11H2,1H3;5-8,10-14,16,21,30H,1-4,9,15H2;4-6,8,10-14,16-17H,2-3,7,9,15H2,1H3;1,4-6,9-12,16H,2-3,7-8H2,(H,26,27);2-5,8-11H,6-7H2,1H3
• InChIKey: VSHIOABNXOHBCJ-UHFFFAOYSA-N
• XLogP: 32.92
• TPSA: 331.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2504.50
LogP ≤ 5	32.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate?

The IUPAC name of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate (CID 161385566) is [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate.

What is the SMILES notation for [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate?

The canonical SMILES for [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate is CC1C2CCC1CN(C(=O)c1ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c1)C2.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)C1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1.Cc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1.O=C(Nc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1)OC1CC1.O=C(c1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1)N1CCCC1CO.

What is the InChIKey of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate?

The InChIKey is VSHIOABNXOHBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O.C26H26ClN3O.C25H24ClN3O2.C25H24ClN3O.C22H18ClN3O4.C19H15ClN2O2/c1-17-21-4-5-22(17)16-32(15-21)28(33)20-6-7-25(26(29)11-20)24-10-23(13-30-14-24)19-8-9-31-27(12-19)18-2-3-18;1-17-7-10-30(11-8-17)26(31)20-4-5-23(24(27)13-20)22-12-21(15-28-16-22)19-6-9-29-25(14-19)18-2-3-18;26-23-11-18(25(31)29-9-1-2-21(29)15-30)5-6-22(23)20-10-19(13-27-14-20)17-7-8-28-24(12-17)16-3-4-16;1-16-7-9-29(15-16)25(30)19-4-5-22(23(26)11-19)21-10-20(13-27-14-21)18-6-8-28-24(12-18)17-2-3-17;23-19-10-15(26-22(27)30-16-2-3-16)1-4-17(19)13-9-14(12-24-11-13)18-5-6-25-21-20(18)28-7-8-29-21;1-12-2-3-15(17(20)8-12)13-9-14(11-21-10-13)16-4-5-22-19-18(16)23-6-7-24-19/h6-14,17-18,21-22H,2-5,15-16H2,1H3;4-6,9,12-18H,2-3,7-8,10-11H2,1H3;5-8,10-14,16,21,30H,1-4,9,15H2;4-6,8,10-14,16-17H,2-3,7,9,15H2,1H3;1,4-6,9-12,16H,2-3,7-8H2,(H,26,27);2-5,8-11H,6-7H2,1H3.

What are the key properties of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate?

[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate has a molecular weight of 2504.50 g/mol, XLogP of 32.92, 23 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate is sourced from PubChem (CID 161385566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).