N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C117H121ClN30O18 — CID 159542840

About N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 159542840) has the molecular formula C117H121ClN30O18 and a molecular weight of 2270.90 g/mol. Its IUPAC name is N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 159542840
• Molecular Formula: C117H121ClN30O18
• Molecular Weight: 2270.90 g/mol
• Exact Mass: 2268.92
• IUPAC Name: N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CNC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.COc1cc(Nc2ncc3ccn(-c4cccc(-c5nn[nH]n5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCN)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCC(C)C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)cc(OC)c1OC
• InChI: InChI=1S/C28H33N5O4.C24H27N7O4.C23H23N5O4.C22H20N8O3.C20H18ClN5O3/c1-18(2)16-29-25(34)10-9-19-7-6-8-22(13-19)33-12-11-20-17-30-28(32-27(20)33)31-21-14-23(35-3)26(37-5)24(15-21)36-4;1-33-18-12-16(13-19(34-2)21(18)35-3)28-24-27-14-15-8-11-31(22(15)30-24)20-7-4-6-17(29-20)23(32)26-10-5-9-25;1-24-22(29)16-7-5-6-8-17(16)28-10-9-14-13-25-23(27-21(14)28)26-15-11-18(30-2)20(32-4)19(12-15)31-3;1-31-17-10-15(11-18(32-2)19(17)33-3)24-22-23-12-14-7-8-30(21(14)25-22)16-6-4-5-13(9-16)20-26-28-29-27-20;1-27-15-8-13(9-16(28-2)18(15)29-3)24-20-23-11-12-5-7-26(19(12)25-20)14-4-6-22-17(21)10-14/h6-8,11-15,17-18H,9-10,16H2,1-5H3,(H,29,34)(H,30,31,32);4,6-8,11-14H,5,9-10,25H2,1-3H3,(H,26,32)(H,27,28,30);5-13H,1-4H3,(H,24,29)(H,25,26,27);4-12H,1-3H3,(H,23,24,25)(H,26,27,28,29);4-11H,1-3H3,(H,23,24,25)
• InChIKey: MEKWCMUVYAJILS-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 545.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 41
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2270.90
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 159542840) is N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is CNC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.COc1cc(Nc2ncc3ccn(-c4cccc(-c5nn[nH]n5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCN)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCC(C)C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)cc(OC)c1OC.

What is the InChIKey of N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is MEKWCMUVYAJILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O4.C24H27N7O4.C23H23N5O4.C22H20N8O3.C20H18ClN5O3/c1-18(2)16-29-25(34)10-9-19-7-6-8-22(13-19)33-12-11-20-17-30-28(32-27(20)33)31-21-14-23(35-3)26(37-5)24(15-21)36-4;1-33-18-12-16(13-19(34-2)21(18)35-3)28-24-27-14-15-8-11-31(22(15)30-24)20-7-4-6-17(29-20)23(32)26-10-5-9-25;1-24-22(29)16-7-5-6-8-17(16)28-10-9-14-13-25-23(27-21(14)28)26-15-11-18(30-2)20(32-4)19(12-15)31-3;1-31-17-10-15(11-18(32-2)19(17)33-3)24-22-23-12-14-7-8-30(21(14)25-22)16-6-4-5-13(9-16)20-26-28-29-27-20;1-27-15-8-13(9-16(28-2)18(15)29-3)24-20-23-11-12-5-7-26(19(12)25-20)14-4-6-22-17(21)10-14/h6-8,11-15,17-18H,9-10,16H2,1-5H3,(H,29,34)(H,30,31,32);4,6-8,11-14H,5,9-10,25H2,1-3H3,(H,26,32)(H,27,28,30);5-13H,1-4H3,(H,24,29)(H,25,26,27);4-12H,1-3H3,(H,23,24,25)(H,26,27,28,29);4-11H,1-3H3,(H,23,24,25).

What are the key properties of N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 2270.90 g/mol, XLogP of 18.72, 41 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;7-(2-chloro-4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methylpropyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-methyl-2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-[3-(2H-tetrazol-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 159542840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).