N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine

C79H99N27O3 — CID 159132781

About N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 159132781) has the molecular formula C79H99N27O3 and a molecular weight of 1474.85 g/mol. Its IUPAC name is N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 159132781
• Molecular Formula: C79H99N27O3
• Molecular Weight: 1474.85 g/mol
• Exact Mass: 1473.84
• IUPAC Name: N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine
• SMILES: [H]/N=C1C(=N/c2c(NCCN(C)C)nn3ccccc23)/C=C(OCCN2CCN(C)CC2)c2[nH]ccc2/1.[H]/N=C1C(=N\c2c(NCCN(C)C)nn3ccccc23)\C=C(OCCCn2ccnc2)c2[nH]c(C)c(C)c2\1.[H]/N=C1C(=N\c2c(NCCN(C)C)nn3ccccc23)\C=C(OCCn2ccnc2)c2[nH]c(C)c(C)c2\1
• InChI: InChI=1S/C27H33N9O.C26H31N9O.C26H35N9O/c1-18-19(2)31-26-22(37-15-7-11-35-14-9-29-17-35)16-20(24(28)23(18)26)32-25-21-8-5-6-12-36(21)33-27(25)30-10-13-34(3)4;1-17-18(2)30-25-21(36-14-13-34-12-8-28-16-34)15-19(23(27)22(17)25)31-24-20-7-5-6-10-35(20)32-26(24)29-9-11-33(3)4;1-32(2)11-9-29-26-25(21-6-4-5-10-35(21)31-26)30-20-18-22(24-19(23(20)27)7-8-28-24)36-17-16-34-14-12-33(3)13-15-34/h5-6,8-9,12,14,16-17,28,31H,7,10-11,13,15H2,1-4H3,(H,30,33);5-8,10,12,15-16,27,30H,9,11,13-14H2,1-4H3,(H,29,32);4-8,10,18,27-28H,9,11-17H2,1-3H3,(H,29,31)/b28-24+,32-20+;27-23+,31-19+;27-23+,30-20+
• InChIKey: KHCMTQZOUIFWKQ-KBKHRIAHSA-N
• XLogP: 10.11
• TPSA: 323.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1474.85
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 159132781) is N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine is [H]/N=C1C(=N/c2c(NCCN(C)C)nn3ccccc23)/C=C(OCCN2CCN(C)CC2)c2[nH]ccc2/1.[H]/N=C1C(=N\c2c(NCCN(C)C)nn3ccccc23)\C=C(OCCCn2ccnc2)c2[nH]c(C)c(C)c2\1.[H]/N=C1C(=N\c2c(NCCN(C)C)nn3ccccc23)\C=C(OCCn2ccnc2)c2[nH]c(C)c(C)c2\1.

What is the InChIKey of N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is KHCMTQZOUIFWKQ-KBKHRIAHSA-N. The full InChI is InChI=1S/C27H33N9O.C26H31N9O.C26H35N9O/c1-18-19(2)31-26-22(37-15-7-11-35-14-9-29-17-35)16-20(24(28)23(18)26)32-25-21-8-5-6-12-36(21)33-27(25)30-10-13-34(3)4;1-17-18(2)30-25-21(36-14-13-34-12-8-28-16-34)15-19(23(27)22(17)25)31-24-20-7-5-6-10-35(20)32-26(24)29-9-11-33(3)4;1-32(2)11-9-29-26-25(21-6-4-5-10-35(21)31-26)30-20-18-22(24-19(23(20)27)7-8-28-24)36-17-16-34-14-12-33(3)13-15-34/h5-6,8-9,12,14,16-17,28,31H,7,10-11,13,15H2,1-4H3,(H,30,33);5-8,10,12,15-16,27,30H,9,11,13-14H2,1-4H3,(H,29,32);4-8,10,18,27-28H,9,11-17H2,1-3H3,(H,29,31)/b28-24+,32-20+;27-23+,31-19+;27-23+,30-20+.

What are the key properties of N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine?

N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 1474.85 g/mol, XLogP of 10.11, 28 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[7-(2-imidazol-1-ylethoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[7-(3-imidazol-1-ylpropoxy)-4-imino-2,3-dimethyl-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[3-[[4-imino-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 159132781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).