[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C102H96Cl5F4N15O12 — CID 165083918

About [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 165083918) has the molecular formula C102H96Cl5F4N15O12 and a molecular weight of 1977.24 g/mol. Its IUPAC name is [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
• PubChem CID: 165083918
• Molecular Formula: C102H96Cl5F4N15O12
• Molecular Weight: 1977.24 g/mol
• Exact Mass: 1973.57
• IUPAC Name: [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
• SMILES: CC1CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2ccc3c(c2)OC(F)(F)O3)CC1.COc1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.COc1ccc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)cc1.COc1cccc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1.O=C(c1cnc2c(c1)c(Cl)cn2-c1ccc2c(c1)OC(F)(F)O2)N1CCCCC1
• InChI: InChI=1S/C21H18ClF2N3O3.C21H22ClN3O2.C20H16ClF2N3O3.2C20H20ClN3O2/c1-12-4-6-26(7-5-12)20(28)13-8-15-16(22)11-27(19(15)25-10-13)14-2-3-17-18(9-14)30-21(23,24)29-17;1-14-7-9-24(10-8-14)21(26)15-11-18-19(22)13-25(20(18)23-12-15)16-3-5-17(27-2)6-4-16;21-15-11-26(13-4-5-16-17(9-13)29-20(22,23)28-16)18-14(15)8-12(10-24-18)19(27)25-6-2-1-3-7-25;1-26-16-7-5-15(6-8-16)24-13-18(21)17-11-14(12-22-19(17)24)20(25)23-9-3-2-4-10-23;1-26-16-7-5-6-15(11-16)24-13-18(21)17-10-14(12-22-19(17)24)20(25)23-8-3-2-4-9-23/h2-3,8-12H,4-7H2,1H3;3-6,11-14H,7-10H2,1-2H3;4-5,8-11H,1-3,6-7H2;5-8,11-13H,2-4,9-10H2,1H3;5-7,10-13H,2-4,8-9H2,1H3
• InChIKey: VOOLGVXKNGZAJF-UHFFFAOYSA-N
• XLogP: 22.69
• TPSA: 255.26 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1977.24
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The IUPAC name of [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 165083918) is [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is CC1CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2ccc3c(c2)OC(F)(F)O3)CC1.COc1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.COc1ccc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)cc1.COc1cccc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1.O=C(c1cnc2c(c1)c(Cl)cn2-c1ccc2c(c1)OC(F)(F)O2)N1CCCCC1.

What is the InChIKey of [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The InChIKey is VOOLGVXKNGZAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N3O3.C21H22ClN3O2.C20H16ClF2N3O3.2C20H20ClN3O2/c1-12-4-6-26(7-5-12)20(28)13-8-15-16(22)11-27(19(15)25-10-13)14-2-3-17-18(9-14)30-21(23,24)29-17;1-14-7-9-24(10-8-14)21(26)15-11-18-19(22)13-25(20(18)23-12-15)16-3-5-17(27-2)6-4-16;21-15-11-26(13-4-5-16-17(9-13)29-20(22,23)28-16)18-14(15)8-12(10-24-18)19(27)25-6-2-1-3-7-25;1-26-16-7-5-15(6-8-16)24-13-18(21)17-11-14(12-22-19(17)24)20(25)23-9-3-2-4-10-23;1-26-16-7-5-6-15(11-16)24-13-18(21)17-10-14(12-22-19(17)24)20(25)23-8-3-2-4-9-23/h2-3,8-12H,4-7H2,1H3;3-6,11-14H,7-10H2,1-2H3;4-5,8-11H,1-3,6-7H2;5-8,11-13H,2-4,9-10H2,1H3;5-7,10-13H,2-4,8-9H2,1H3.

What are the key properties of [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 1977.24 g/mol, XLogP of 22.69, 13 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 165083918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).