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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

C159H147Cl3F2N34O2 — CID 160992383

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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 160992383) has the molecular formula C159H147Cl3F2N34O2 and a molecular weight of 2710.52 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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 160992383
• Molecular Formula: C159H147Cl3F2N34O2
• Molecular Weight: 2710.52 g/mol
• Exact Mass: 2707.15
• 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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
• SMILES: COc1ccc(CNc2ccc3cc[nH]c3n2)cc1.COc1ccccc1Nc1ccc2cc[nH]c2n1.Cc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Cc1cccc(CNc2ccc3cc[nH]c3n2)c1.Clc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Clc1cccc(CNc2ccc3cc[nH]c3n2)c1.Clc1ccccc1CNc1ccc2cc[nH]c2n1.Fc1cc(F)cc(Cc2cnc3[nH]ccc3c2)c1.c1cc2cc(Cc3ccc(N4CCCCC4)cc3)cnc2[nH]1.c1cncc(CNc2ccc3cc[nH]c3n2)c1.c1cncc(Nc2ccc3cc[nH]c3n2)c1
• InChI: InChI=1S/C19H21N3.C15H15N3O.2C15H15N3.3C14H12ClN3.C14H10F2N2.C14H13N3O.C13H12N4.C12H10N4/c1-2-10-22(11-3-1)18-6-4-15(5-7-18)12-16-13-17-8-9-20-19(17)21-14-16;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;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;15-12-5-9(6-13(16)7-12)3-10-4-11-1-2-17-14(11)18-8-10;1-18-12-5-3-2-4-11(12)16-13-7-6-10-8-9-15-14(10)17-13;1-2-10(8-14-6-1)9-16-12-4-3-11-5-7-15-13(11)17-12;1-2-10(8-13-6-1)15-11-4-3-9-5-7-14-12(9)16-11/h4-9,13-14H,1-3,10-12H2,(H,20,21);2-9H,10H2,1H3,(H2,16,17,18);2*2-9H,10H2,1H3,(H2,16,17,18);3*1-8H,9H2,(H2,16,17,18);1-2,4-8H,3H2,(H,17,18);2-9H,1H3,(H2,15,16,17);1-8H,9H2,(H2,15,16,17);1-8H,(H2,14,15,16)
• InChIKey: TUUNGBSWJPXSHC-UHFFFAOYSA-N
• XLogP: 37.80
• TPSA: 471.23 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2710.52
LogP ≤ 5	37.80
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 160992383) 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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is COc1ccc(CNc2ccc3cc[nH]c3n2)cc1.COc1ccccc1Nc1ccc2cc[nH]c2n1.Cc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Cc1cccc(CNc2ccc3cc[nH]c3n2)c1.Clc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Clc1cccc(CNc2ccc3cc[nH]c3n2)c1.Clc1ccccc1CNc1ccc2cc[nH]c2n1.Fc1cc(F)cc(Cc2cnc3[nH]ccc3c2)c1.c1cc2cc(Cc3ccc(N4CCCCC4)cc3)cnc2[nH]1.c1cncc(CNc2ccc3cc[nH]c3n2)c1.c1cncc(Nc2ccc3cc[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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?

The InChIKey is TUUNGBSWJPXSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3.C15H15N3O.2C15H15N3.3C14H12ClN3.C14H10F2N2.C14H13N3O.C13H12N4.C12H10N4/c1-2-10-22(11-3-1)18-6-4-15(5-7-18)12-16-13-17-8-9-20-19(17)21-14-16;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;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;15-12-5-9(6-13(16)7-12)3-10-4-11-1-2-17-14(11)18-8-10;1-18-12-5-3-2-4-11(12)16-13-7-6-10-8-9-15-14(10)17-13;1-2-10(8-14-6-1)9-16-12-4-3-11-5-7-15-13(11)17-12;1-2-10(8-13-6-1)15-11-4-3-9-5-7-14-12(9)16-11/h4-9,13-14H,1-3,10-12H2,(H,20,21);2-9H,10H2,1H3,(H2,16,17,18);2*2-9H,10H2,1H3,(H2,16,17,18);3*1-8H,9H2,(H2,16,17,18);1-2,4-8H,3H2,(H,17,18);2-9H,1H3,(H2,15,16,17);1-8H,9H2,(H2,15,16,17);1-8H,(H2,14,15,16).

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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 2710.52 g/mol, XLogP of 37.80, 32 rotatable bonds, 20 hydrogen bond donors, and 25 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;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 160992383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).