[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone — IUPAC name, SMILES, InChIKey & properties

Name: [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone

[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 167660063) has the molecular formula C111H117ClN18O8 and a molecular weight of 1866.73 g/mol. Its IUPAC name is [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name	[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID	167660063
Molecular Formula	C111H117ClN18O8
Molecular Weight	1866.73 g/mol
Exact Mass	1864.90
IUPAC Name	[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILES	COc1ccc(-n2ccc3c(C#N)c(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3c(N)c(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3c(NCc4ccccc4)c(C(=O)N4CCCCC4)cnc32)cc1.Cc1ccc(-n2cc(C)c3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.Cc1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(C)CC4)cnc32)cc1
InChI	InChI=1S/C27H28N4O2.C22H25N3O.C21H22ClN3O.C21H20N4O2.C20H22N4O2/c1-33-22-12-10-21(11-13-22)31-17-14-23-25(28-18-20-8-4-2-5-9-20)24(19-29-26(23)31)27(32)30-15-6-3-7-16-30;1-15-4-6-19(7-5-15)25-14-17(3)20-12-18(13-23-21(20)25)22(26)24-10-8-16(2)9-11-24;1-14-3-5-17(6-4-14)25-13-19(22)18-11-16(12-23-20(18)25)21(26)24-9-7-15(2)8-10-24;1-27-16-7-5-15(6-8-16)25-12-9-17-18(13-22)19(14-23-20(17)25)21(26)24-10-3-2-4-11-24;1-26-15-7-5-14(6-8-15)24-12-9-16-18(21)17(13-22-19(16)24)20(25)23-10-3-2-4-11-23/h2,4-5,8-14,17,19H,3,6-7,15-16,18H2,1H3,(H,28,29);4-7,12-14,16H,8-11H2,1-3H3;3-6,11-13,15H,7-10H2,1-2H3;5-9,12,14H,2-4,10-11H2,1H3;5-9,12-13H,2-4,10-11H2,1H3,(H2,21,22)
InChIKey	RUZJKEZTGMWAKF-UHFFFAOYSA-N
XLogP	21.42
TPSA	280.18 Å²
H-Bond Donors	2
H-Bond Acceptors	21
Rotatable Bonds	16
Heavy Atoms	138
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1866.73
LogP ≤ 5	21.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Analyze [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?

The IUPAC name of [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 167660063) is [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone.

What is the SMILES notation for [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?

The canonical SMILES for [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(-n2ccc3c(C#N)c(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3c(N)c(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3c(NCc4ccccc4)c(C(=O)N4CCCCC4)cnc32)cc1.Cc1ccc(-n2cc(C)c3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.Cc1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.

What is the InChIKey of [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?

The InChIKey is RUZJKEZTGMWAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2.C22H25N3O.C21H22ClN3O.C21H20N4O2.C20H22N4O2/c1-33-22-12-10-21(11-13-22)31-17-14-23-25(28-18-20-8-4-2-5-9-20)24(19-29-26(23)31)27(32)30-15-6-3-7-16-30;1-15-4-6-19(7-5-15)25-14-17(3)20-12-18(13-23-21(20)25)22(26)24-10-8-16(2)9-11-24;1-14-3-5-17(6-4-14)25-13-19(22)18-11-16(12-23-20(18)25)21(26)24-9-7-15(2)8-10-24;1-27-16-7-5-15(6-8-16)25-12-9-17-18(13-22)19(14-23-20(17)25)21(26)24-10-3-2-4-11-24;1-26-15-7-5-14(6-8-15)24-12-9-16-18(21)17(13-22-19(16)24)20(25)23-10-3-2-4-11-23/h2,4-5,8-14,17,19H,3,6-7,15-16,18H2,1H3,(H,28,29);4-7,12-14,16H,8-11H2,1-3H3;3-6,11-13,15H,7-10H2,1-2H3;5-9,12,14H,2-4,10-11H2,1H3;5-9,12-13H,2-4,10-11H2,1H3,(H2,21,22).

What are the key properties of [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?

Where does this data come from?

All data for [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[4-(benzylamino)-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[3-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 167660063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).