[4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone — IUPAC name, SMILES, InChIKey & properties

Name: [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone

[4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 165028886) has the molecular formula C116H119F2N15O10 and a molecular weight of 1921.32 g/mol. Its IUPAC name is [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name	[4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID	165028886
Molecular Formula	C116H119F2N15O10
Molecular Weight	1921.32 g/mol
Exact Mass	1919.92
IUPAC Name	[4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone
SMILES	CC(C)(O)c1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccc(C(C)O)c3)c2)CC1.COc1ccc(-n2ccc3cc(C(=O)N4CC(c5ccccc5)C4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4CCC(C(C)(F)F)CC4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4CCC(c5ccccc5)CC4)cnc32)cc1
InChI	InChI=1S/C26H25N3O2.C24H21N3O2.C22H23F2N3O2.2C22H25N3O2/c1-31-24-9-7-23(8-10-24)29-16-13-21-17-22(18-27-25(21)29)26(30)28-14-11-20(12-15-28)19-5-3-2-4-6-19;1-29-22-9-7-21(8-10-22)27-12-11-18-13-19(14-25-23(18)27)24(28)26-15-20(16-26)17-5-3-2-4-6-17;1-22(23,24)17-8-10-26(11-9-17)21(28)16-13-15-7-12-27(20(15)25-14-16)18-3-5-19(29-2)6-4-18;1-15-6-9-24(10-7-15)22(27)19-12-18-8-11-25(21(18)23-14-19)20-5-3-4-17(13-20)16(2)26;1-22(2,27)18-7-6-8-19(14-18)25-12-9-16-13-17(15-23-20(16)25)21(26)24-10-4-3-5-11-24/h2-10,13,16-18,20H,11-12,14-15H2,1H3;2-14,20H,15-16H2,1H3;3-7,12-14,17H,8-11H2,1-2H3;3-5,8,11-16,26H,6-7,9-10H2,1-2H3;6-9,12-15,27H,3-5,10-11H2,1-2H3
InChIKey	MIDRPMQUBWUBFI-UHFFFAOYSA-N
XLogP	21.70
TPSA	258.80 Å²
H-Bond Donors	2
H-Bond Acceptors	20
Rotatable Bonds	18
Heavy Atoms	143
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1921.32
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Analyze [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone?

The IUPAC name of [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone (CID 165028886) is [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone.

What is the SMILES notation for [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone?

The canonical SMILES for [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone is CC(C)(O)c1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccc(C(C)O)c3)c2)CC1.COc1ccc(-n2ccc3cc(C(=O)N4CC(c5ccccc5)C4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4CCC(C(C)(F)F)CC4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4CCC(c5ccccc5)CC4)cnc32)cc1.

What is the InChIKey of [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone?

The InChIKey is MIDRPMQUBWUBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2.C24H21N3O2.C22H23F2N3O2.2C22H25N3O2/c1-31-24-9-7-23(8-10-24)29-16-13-21-17-22(18-27-25(21)29)26(30)28-14-11-20(12-15-28)19-5-3-2-4-6-19;1-29-22-9-7-21(8-10-22)27-12-11-18-13-19(14-25-23(18)27)24(28)26-15-20(16-26)17-5-3-2-4-6-17;1-22(23,24)17-8-10-26(11-9-17)21(28)16-13-15-7-12-27(20(15)25-14-16)18-3-5-19(29-2)6-4-18;1-15-6-9-24(10-7-15)22(27)19-12-18-8-11-25(21(18)23-14-19)20-5-3-4-17(13-20)16(2)26;1-22(2,27)18-7-6-8-19(14-18)25-12-9-16-13-17(15-23-20(16)25)21(26)24-10-4-3-5-11-24/h2-10,13,16-18,20H,11-12,14-15H2,1H3;2-14,20H,15-16H2,1H3;3-7,12-14,17H,8-11H2,1-2H3;3-5,8,11-16,26H,6-7,9-10H2,1-2H3;6-9,12-15,27H,3-5,10-11H2,1-2H3.

What are the key properties of [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone?

Where does this data come from?

All data for [4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 165028886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).