2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol

C75H102N18O3 — CID 145424869

IUPAC2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol
SMILESCCOCC(c1cn2c(N3CCN(C)CC3)cccc2n1)N1CCCC1c1ncccc1C.COCC(c1cn2c(N3CCN(C)CC3)cccc2n1)N1CCCC1c1ncccc1C.Cc1cccnc1C1CCCN1C(CO)c1cn2c(N3CCN(C)CC3)cccc2n1
InChIInChI=1S/C26H36N6O.C25H34N6O.C24H32N6O/c1-4-33-19-23(31-13-7-9-22(31)26-20(2)8-6-12-27-26)21-18-32-24(28-21)10-5-11-25(32)30-16-14-29(3)15-17-30;1-19-7-5-11-26-25(19)21-8-6-12-30(21)22(18-32-3)20-17-31-23(27-20)9-4-10-24(31)29-15-13-28(2)14-16-29;1-18-6-4-10-25-24(18)20-7-5-11-29(20)21(17-31)19-16-30-22(26-19)8-3-9-23(30)28-14-12-27(2)13-15-28/h5-6,8,10-12,18,22-23H,4,7,9,13-17,19H2,1-3H3;4-5,7,9-11,17,21-22H,6,8,12-16,18H2,1-3H3;3-4,6,8-10,16,20-21,31H,5,7,11-15,17H2,1-2H3
InChIKeyPTFHUVASYLSDDW-UHFFFAOYSA-N
MW1303.76 g/mol
LogP9.68
Rot. Bonds18

About 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol

2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol (PubChem CID 145424869) has the molecular formula C75H102N18O3 and a molecular weight of 1303.76 g/mol. Its IUPAC name is 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol
PubChem CID145424869
Molecular FormulaC75H102N18O3
Molecular Weight1303.76 g/mol
Exact Mass1302.84
IUPAC Name2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol
SMILESCCOCC(c1cn2c(N3CCN(C)CC3)cccc2n1)N1CCCC1c1ncccc1C.COCC(c1cn2c(N3CCN(C)CC3)cccc2n1)N1CCCC1c1ncccc1C.Cc1cccnc1C1CCCN1C(CO)c1cn2c(N3CCN(C)CC3)cccc2n1
InChIInChI=1S/C26H36N6O.C25H34N6O.C24H32N6O/c1-4-33-19-23(31-13-7-9-22(31)26-20(2)8-6-12-27-26)21-18-32-24(28-21)10-5-11-25(32)30-16-14-29(3)15-17-30;1-19-7-5-11-26-25(19)21-8-6-12-30(21)22(18-32-3)20-17-31-23(27-20)9-4-10-24(31)29-15-13-28(2)14-16-29;1-18-6-4-10-25-24(18)20-7-5-11-29(20)21(17-31)19-16-30-22(26-19)8-3-9-23(30)28-14-12-27(2)13-15-28/h5-6,8,10-12,18,22-23H,4,7,9,13-17,19H2,1-3H3;4-5,7,9-11,17,21-22H,6,8,12-16,18H2,1-3H3;3-4,6,8-10,16,20-21,31H,5,7,11-15,17H2,1-2H3
InChIKeyPTFHUVASYLSDDW-UHFFFAOYSA-N
XLogP9.68
TPSA158.42 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.76
LogP ≤ 59.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol (CID 145424869) is 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol is CCOCC(c1cn2c(N3CCN(C)CC3)cccc2n1)N1CCCC1c1ncccc1C.COCC(c1cn2c(N3CCN(C)CC3)cccc2n1)N1CCCC1c1ncccc1C.Cc1cccnc1C1CCCN1C(CO)c1cn2c(N3CCN(C)CC3)cccc2n1.
What is the InChIKey of 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol?
The InChIKey is PTFHUVASYLSDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O.C25H34N6O.C24H32N6O/c1-4-33-19-23(31-13-7-9-22(31)26-20(2)8-6-12-27-26)21-18-32-24(28-21)10-5-11-25(32)30-16-14-29(3)15-17-30;1-19-7-5-11-26-25(19)21-8-6-12-30(21)22(18-32-3)20-17-31-23(27-20)9-4-10-24(31)29-15-13-28(2)14-16-29;1-18-6-4-10-25-24(18)20-7-5-11-29(20)21(17-31)19-16-30-22(26-19)8-3-9-23(30)28-14-12-27(2)13-15-28/h5-6,8,10-12,18,22-23H,4,7,9,13-17,19H2,1-3H3;4-5,7,9-11,17,21-22H,6,8,12-16,18H2,1-3H3;3-4,6,8-10,16,20-21,31H,5,7,11-15,17H2,1-2H3.
What are the key properties of 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol?
2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol has a molecular weight of 1303.76 g/mol, XLogP of 9.68, 18 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[2-methoxy-1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 145424869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).