7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C92H102N26O7S — CID 159082483

About 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 159082483) has the molecular formula C92H102N26O7S and a molecular weight of 1716.07 g/mol. Its IUPAC name is 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 159082483
• Molecular Formula: C92H102N26O7S
• Molecular Weight: 1716.07 g/mol
• Exact Mass: 1714.81
• IUPAC Name: 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: COCCn1ccc2cc(N)cc(NC(C)c3cccnc3)c21.COCCn1ccc2cc(N)cc(NCc3cc(C4CC4)on3)c21.COCc1nc(CNc2nc(C)nc3ccn(Cc4ccccn4)c23)no1.COc1cccnc1Cn1ccc2cc(N)cc(NCc3ncc(C)o3)c21.Cc1nc(NCc2ncc(C)s2)c2c(ccn2Cc2ccccn2)n1
• InChI: InChI=1S/C20H21N5O2.C18H19N7O2.C18H18N6S.C18H22N4O2.C18H22N4O/c1-13-10-24-19(27-13)11-23-16-9-15(21)8-14-5-7-25(20(14)16)12-17-18(26-2)4-3-6-22-17;1-12-21-14-6-8-25(10-13-5-3-4-7-19-13)17(14)18(22-12)20-9-15-23-16(11-26-2)27-24-15;1-12-9-20-16(25-12)10-21-18-17-15(22-13(2)23-18)6-8-24(17)11-14-5-3-4-7-19-14;1-23-7-6-22-5-4-13-8-14(19)9-16(18(13)22)20-11-15-10-17(24-21-15)12-2-3-12;1-13(15-4-3-6-20-12-15)21-17-11-16(19)10-14-5-7-22(18(14)17)8-9-23-2/h3-10,23H,11-12,21H2,1-2H3;3-8H,9-11H2,1-2H3,(H,20,21,22);3-9H,10-11H2,1-2H3,(H,21,22,23);4-5,8-10,12,20H,2-3,6-7,11,19H2,1H3;3-7,10-13,21H,8-9,19H2,1-2H3
• InChIKey: KBALIRWPJOYVPL-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 406.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 31
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.07
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 159082483) is 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is COCCn1ccc2cc(N)cc(NC(C)c3cccnc3)c21.COCCn1ccc2cc(N)cc(NCc3cc(C4CC4)on3)c21.COCc1nc(CNc2nc(C)nc3ccn(Cc4ccccn4)c23)no1.COc1cccnc1Cn1ccc2cc(N)cc(NCc3ncc(C)o3)c21.Cc1nc(NCc2ncc(C)s2)c2c(ccn2Cc2ccccn2)n1.

What is the InChIKey of 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is KBALIRWPJOYVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.C18H19N7O2.C18H18N6S.C18H22N4O2.C18H22N4O/c1-13-10-24-19(27-13)11-23-16-9-15(21)8-14-5-7-25(20(14)16)12-17-18(26-2)4-3-6-22-17;1-12-21-14-6-8-25(10-13-5-3-4-7-19-13)17(14)18(22-12)20-9-15-23-16(11-26-2)27-24-15;1-12-9-20-16(25-12)10-21-18-17-15(22-13(2)23-18)6-8-24(17)11-14-5-3-4-7-19-14;1-23-7-6-22-5-4-13-8-14(19)9-16(18(13)22)20-11-15-10-17(24-21-15)12-2-3-12;1-13(15-4-3-6-20-12-15)21-17-11-16(19)10-14-5-7-22(18(14)17)8-9-23-2/h3-10,23H,11-12,21H2,1-2H3;3-8H,9-11H2,1-2H3,(H,20,21,22);3-9H,10-11H2,1-2H3,(H,21,22,23);4-5,8-10,12,20H,2-3,6-7,11,19H2,1H3;3-7,10-13,21H,8-9,19H2,1-2H3.

What are the key properties of 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1716.07 g/mol, XLogP of 16.25, 31 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(2-methoxyethyl)indole-5,7-diamine;1-(2-methoxyethyl)-7-N-(1-pyridin-3-ylethyl)indole-5,7-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[(3-methoxy-2-pyridinyl)methyl]-7-N-[(5-methyl-1,3-oxazol-2-yl)methyl]indole-5,7-diamine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 159082483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).