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

C75H95N21O6 — CID 159661699

IUPAC2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-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(C)c2[nH]c(C)c(C)c2\1.[H]/N=C1C(=N\c2c(OCCO)nn3ccccc23)\C=C(OCCCN2CCN(C)CC2)c2[nH]c(C)c(C)c2\1.[H]/N=C1C(=N\c2c(OCCO)nn3ccccc23)\C=C(OCCN2CCN(C)CC2)c2[nH]c(C)c(C)c2\1
InChIInChI=1S/C27H35N7O3.C26H33N7O3.C22H27N7/c1-18-19(2)29-26-22(36-15-6-8-33-12-10-32(3)11-13-33)17-20(24(28)23(18)26)30-25-21-7-4-5-9-34(21)31-27(25)37-16-14-35;1-17-18(2)28-25-21(35-14-12-32-10-8-31(3)9-11-32)16-19(23(27)22(17)25)29-24-20-6-4-5-7-33(20)30-26(24)36-15-13-34;1-13-12-16(19(23)18-14(2)15(3)25-20(13)18)26-21-17-8-6-7-10-29(17)27-22(21)24-9-11-28(4)5/h4-5,7,9,17,28-29,35H,6,8,10-16H2,1-3H3;4-7,16,27-28,34H,8-15H2,1-3H3;6-8,10,12,23,25H,9,11H2,1-5H3,(H,24,27)/b28-24+,30-20+;27-23+,29-19+;23-19+,26-16+
InChIKeyMSWVCEAIZFZRRI-LYDOVPPESA-N
MW1386.73 g/mol
LogP9.02
Rot. Bonds22

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

2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 159661699) has the molecular formula C75H95N21O6 and a molecular weight of 1386.73 g/mol. Its IUPAC name is 2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID159661699
Molecular FormulaC75H95N21O6
Molecular Weight1386.73 g/mol
Exact Mass1385.78
IUPAC Name2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-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(C)c2[nH]c(C)c(C)c2\1.[H]/N=C1C(=N\c2c(OCCO)nn3ccccc23)\C=C(OCCCN2CCN(C)CC2)c2[nH]c(C)c(C)c2\1.[H]/N=C1C(=N\c2c(OCCO)nn3ccccc23)\C=C(OCCN2CCN(C)CC2)c2[nH]c(C)c(C)c2\1
InChIInChI=1S/C27H35N7O3.C26H33N7O3.C22H27N7/c1-18-19(2)29-26-22(36-15-6-8-33-12-10-32(3)11-13-33)17-20(24(28)23(18)26)30-25-21-7-4-5-9-34(21)31-27(25)37-16-14-35;1-17-18(2)28-25-21(35-14-12-32-10-8-31(3)9-11-32)16-19(23(27)22(17)25)29-24-20-6-4-5-7-33(20)30-26(24)36-15-13-34;1-13-12-16(19(23)18-14(2)15(3)25-20(13)18)26-21-17-8-6-7-10-29(17)27-22(21)24-9-11-28(4)5/h4-5,7,9,17,28-29,35H,6,8,10-16H2,1-3H3;4-7,16,27-28,34H,8-15H2,1-3H3;6-8,10,12,23,25H,9,11H2,1-5H3,(H,24,27)/b28-24+,30-20+;27-23+,29-19+;23-19+,26-16+
InChIKeyMSWVCEAIZFZRRI-LYDOVPPESA-N
XLogP9.02
TPSA313.51 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001386.73
LogP ≤ 59.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

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'}

Analyze 2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine
CID 137167663
2-[6-amino-4-imino-3-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-1,5-dien-1-yl]oxyethanol
CID 59561390
4-[2-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-(2-hydroxyethylamino)-2-methylcyclohexa-2,5-dien-1-one
CID 59561393
5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
CID 59561276
2-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one
CID 90924242
3-amino-2-chloro-4-[2-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-6-methylcyclohexa-2,5-dien-1-one
CID 59561364
2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol
CID 121427761
2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one
CID 91506519
4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one
CID 59561396
3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine
CID 121421007
7-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-3,4-dihydro-2H-1,4-benzoxazin-6-one
CID 59561363
2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine
CID 70831093

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 159661699) is 2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-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(C)c2[nH]c(C)c(C)c2\1.[H]/N=C1C(=N\c2c(OCCO)nn3ccccc23)\C=C(OCCCN2CCN(C)CC2)c2[nH]c(C)c(C)c2\1.[H]/N=C1C(=N\c2c(OCCO)nn3ccccc23)\C=C(OCCN2CCN(C)CC2)c2[nH]c(C)c(C)c2\1.
What is the InChIKey of 2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is MSWVCEAIZFZRRI-LYDOVPPESA-N. The full InChI is InChI=1S/C27H35N7O3.C26H33N7O3.C22H27N7/c1-18-19(2)29-26-22(36-15-6-8-33-12-10-32(3)11-13-33)17-20(24(28)23(18)26)30-25-21-7-4-5-9-34(21)31-27(25)37-16-14-35;1-17-18(2)28-25-21(35-14-12-32-10-8-31(3)9-11-32)16-19(23(27)22(17)25)29-24-20-6-4-5-7-33(20)30-26(24)36-15-13-34;1-13-12-16(19(23)18-14(2)15(3)25-20(13)18)26-21-17-8-6-7-10-29(17)27-22(21)24-9-11-28(4)5/h4-5,7,9,17,28-29,35H,6,8,10-16H2,1-3H3;4-7,16,27-28,34H,8-15H2,1-3H3;6-8,10,12,23,25H,9,11H2,1-5H3,(H,24,27)/b28-24+,30-20+;27-23+,29-19+;23-19+,26-16+.
What are the key properties of 2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine?
2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 1386.73 g/mol, XLogP of 9.02, 22 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 159661699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).