N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C143H132Cl3F3N32O — CID 159533142

About N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 159533142) has the molecular formula C143H132Cl3F3N32O and a molecular weight of 2478.20 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 159533142
• Molecular Formula: C143H132Cl3F3N32O
• Molecular Weight: 2478.20 g/mol
• Exact Mass: 2475.03
• IUPAC Name: N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
• SMILES: COc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Cc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Cc1cccc(CNc2ccc3cc[nH]c3n2)c1.Cc1cccc(CNc2ccc3cc[nH]c3n2)c1.Clc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Clc1cccc(CNc2ccc3cc[nH]c3n2)c1.Clc1ccccc1CNc1ccc2cc[nH]c2n1.FC(F)(F)c1ccccc1CNc1ccc2cc[nH]c2n1.c1ccc(CNc2ccc3cc[nH]c3n2)nc1.c1cncc(CNc2ccc3cc[nH]c3n2)c1
• InChI: InChI=1S/C15H12F3N3.C15H15N3O.3C15H15N3.3C14H12ClN3.2C13H12N4/c16-15(17,18)12-4-2-1-3-11(12)9-20-13-6-5-10-7-8-19-14(10)21-13;1-19-13-5-2-11(3-6-13)10-17-14-7-4-12-8-9-16-15(12)18-14;1-11-2-4-12(5-3-11)10-17-14-7-6-13-8-9-16-15(13)18-14;2*1-11-3-2-4-12(9-11)10-17-14-6-5-13-7-8-16-15(13)18-14;15-12-4-1-10(2-5-12)9-17-13-6-3-11-7-8-16-14(11)18-13;15-12-3-1-2-10(8-12)9-17-13-5-4-11-6-7-16-14(11)18-13;15-12-4-2-1-3-11(12)9-17-13-6-5-10-7-8-16-14(10)18-13;1-2-10(8-14-6-1)9-16-12-4-3-11-5-7-15-13(11)17-12;1-2-7-14-11(3-1)9-16-12-5-4-10-6-8-15-13(10)17-12/h1-8H,9H2,(H2,19,20,21);2-9H,10H2,1H3,(H2,16,17,18);3*2-9H,10H2,1H3,(H2,16,17,18);3*1-8H,9H2,(H2,16,17,18);2*1-8H,9H2,(H2,15,16,17)
• InChIKey: MDGFNSOLCDQICQ-UHFFFAOYSA-N
• XLogP: 34.45
• TPSA: 442.11 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2478.20
LogP ≤ 5	34.45
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?

The IUPAC name of N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 159533142) is N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is COc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Cc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Cc1cccc(CNc2ccc3cc[nH]c3n2)c1.Cc1cccc(CNc2ccc3cc[nH]c3n2)c1.Clc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Clc1cccc(CNc2ccc3cc[nH]c3n2)c1.Clc1ccccc1CNc1ccc2cc[nH]c2n1.FC(F)(F)c1ccccc1CNc1ccc2cc[nH]c2n1.c1ccc(CNc2ccc3cc[nH]c3n2)nc1.c1cncc(CNc2ccc3cc[nH]c3n2)c1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?

The InChIKey is MDGFNSOLCDQICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3.C15H15N3O.3C15H15N3.3C14H12ClN3.2C13H12N4/c16-15(17,18)12-4-2-1-3-11(12)9-20-13-6-5-10-7-8-19-14(10)21-13;1-19-13-5-2-11(3-6-13)10-17-14-7-4-12-8-9-16-15(12)18-14;1-11-2-4-12(5-3-11)10-17-14-7-6-13-8-9-16-15(13)18-14;2*1-11-3-2-4-12(9-11)10-17-14-6-5-13-7-8-16-15(13)18-14;15-12-4-1-10(2-5-12)9-17-13-6-3-11-7-8-16-14(11)18-13;15-12-3-1-2-10(8-12)9-17-13-5-4-11-6-7-16-14(11)18-13;15-12-4-2-1-3-11(12)9-17-13-6-5-10-7-8-16-14(10)18-13;1-2-10(8-14-6-1)9-16-12-4-3-11-5-7-15-13(11)17-12;1-2-7-14-11(3-1)9-16-12-5-4-10-6-8-15-13(10)17-12/h1-8H,9H2,(H2,19,20,21);2-9H,10H2,1H3,(H2,16,17,18);3*2-9H,10H2,1H3,(H2,16,17,18);3*1-8H,9H2,(H2,16,17,18);2*1-8H,9H2,(H2,15,16,17).

What are the key properties of N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?

N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 2478.20 g/mol, XLogP of 34.45, 31 rotatable bonds, 20 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;bis(N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine);N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 159533142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).