2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine

C74H92F6N18O — CID 145424638

IUPAC2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc(C4CCCC(c5ncccc5C(F)(F)F)N4C)cn23)CC1.CN1CCN(c2cccc3nc(C4CCCC(c5ncccc5C5CC5)N4C)cn23)CC1.CN1CCN(c2cccc3nc(C4CCCC(c5ncccc5OC(F)(F)F)N4C)cn23)CC1
InChIInChI=1S/C26H34N6.C24H29F3N6O.C24H29F3N6/c1-29-14-16-31(17-15-29)25-10-4-9-24-28-21(18-32(24)25)22-7-3-8-23(30(22)2)26-20(19-11-12-19)6-5-13-27-26;1-30-12-14-32(15-13-30)22-10-4-9-21-29-17(16-33(21)22)18-6-3-7-19(31(18)2)23-20(8-5-11-28-23)34-24(25,26)27;1-30-12-14-32(15-13-30)22-10-4-9-21-29-18(16-33(21)22)19-7-3-8-20(31(19)2)23-17(24(25,26)27)6-5-11-28-23/h4-6,9-10,13,18-19,22-23H,3,7-8,11-12,14-17H2,1-2H3;4-5,8-11,16,18-19H,3,6-7,12-15H2,1-2H3;4-6,9-11,16,19-20H,3,7-8,12-15H2,1-2H3
InChIKeyWTKZIGFBGZFUOS-UHFFFAOYSA-N
MW1363.66 g/mol
LogP12.93
Rot. Bonds11

About 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine

2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 145424638) has the molecular formula C74H92F6N18O and a molecular weight of 1363.66 g/mol. Its IUPAC name is 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID145424638
Molecular FormulaC74H92F6N18O
Molecular Weight1363.66 g/mol
Exact Mass1362.76
IUPAC Name2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc(C4CCCC(c5ncccc5C(F)(F)F)N4C)cn23)CC1.CN1CCN(c2cccc3nc(C4CCCC(c5ncccc5C5CC5)N4C)cn23)CC1.CN1CCN(c2cccc3nc(C4CCCC(c5ncccc5OC(F)(F)F)N4C)cn23)CC1
InChIInChI=1S/C26H34N6.C24H29F3N6O.C24H29F3N6/c1-29-14-16-31(17-15-29)25-10-4-9-24-28-21(18-32(24)25)22-7-3-8-23(30(22)2)26-20(19-11-12-19)6-5-13-27-26;1-30-12-14-32(15-13-30)22-10-4-9-21-29-17(16-33(21)22)18-6-3-7-19(31(18)2)23-20(8-5-11-28-23)34-24(25,26)27;1-30-12-14-32(15-13-30)22-10-4-9-21-29-18(16-33(21)22)19-7-3-8-20(31(19)2)23-17(24(25,26)27)6-5-11-28-23/h4-6,9-10,13,18-19,22-23H,3,7-8,11-12,14-17H2,1-2H3;4-5,8-11,16,18-19H,3,6-7,12-15H2,1-2H3;4-6,9-11,16,19-20H,3,7-8,12-15H2,1-2H3
InChIKeyWTKZIGFBGZFUOS-UHFFFAOYSA-N
XLogP12.93
TPSA128.96 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms99
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.66
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine (CID 145424638) is 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine is CN1CCN(c2cccc3nc(C4CCCC(c5ncccc5C(F)(F)F)N4C)cn23)CC1.CN1CCN(c2cccc3nc(C4CCCC(c5ncccc5C5CC5)N4C)cn23)CC1.CN1CCN(c2cccc3nc(C4CCCC(c5ncccc5OC(F)(F)F)N4C)cn23)CC1.
What is the InChIKey of 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is WTKZIGFBGZFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6.C24H29F3N6O.C24H29F3N6/c1-29-14-16-31(17-15-29)25-10-4-9-24-28-21(18-32(24)25)22-7-3-8-23(30(22)2)26-20(19-11-12-19)6-5-13-27-26;1-30-12-14-32(15-13-30)22-10-4-9-21-29-17(16-33(21)22)18-6-3-7-19(31(18)2)23-20(8-5-11-28-23)34-24(25,26)27;1-30-12-14-32(15-13-30)22-10-4-9-21-29-18(16-33(21)22)19-7-3-8-20(31(19)2)23-17(24(25,26)27)6-5-11-28-23/h4-6,9-10,13,18-19,22-23H,3,7-8,11-12,14-17H2,1-2H3;4-5,8-11,16,18-19H,3,6-7,12-15H2,1-2H3;4-6,9-11,16,19-20H,3,7-8,12-15H2,1-2H3.
What are the key properties of 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 1363.66 g/mol, XLogP of 12.93, 11 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-methyl-6-[3-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).