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

C47H62N12O — CID 145424897

IUPAC2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine
SMILESCOc1cccnc1C1CCCN1Cc1cn2c(N3CCN(C)CC3)cccc2n1.Cc1cccnc1C1CCCN1C(C)c1cn2c(N3CCN(C)CC3)cccc2n1
InChIInChI=1S/C24H32N6.C23H30N6O/c1-18-7-5-11-25-24(18)21-8-6-12-29(21)19(2)20-17-30-22(26-20)9-4-10-23(30)28-15-13-27(3)14-16-28;1-26-12-14-27(15-13-26)22-9-3-8-21-25-18(17-29(21)22)16-28-11-5-6-19(28)23-20(30-2)7-4-10-24-23/h4-5,7,9-11,17,19,21H,6,8,12-16H2,1-3H3;3-4,7-10,17,19H,5-6,11-16H2,1-2H3
InChIKeyIVKAPXCHVJKVJZ-UHFFFAOYSA-N
MW811.10 g/mol
LogP6.51
Rot. Bonds9

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

2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine (PubChem CID 145424897) has the molecular formula C47H62N12O and a molecular weight of 811.10 g/mol. Its IUPAC name is 2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine
PubChem CID145424897
Molecular FormulaC47H62N12O
Molecular Weight811.10 g/mol
Exact Mass810.52
IUPAC Name2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine
SMILESCOc1cccnc1C1CCCN1Cc1cn2c(N3CCN(C)CC3)cccc2n1.Cc1cccnc1C1CCCN1C(C)c1cn2c(N3CCN(C)CC3)cccc2n1
InChIInChI=1S/C24H32N6.C23H30N6O/c1-18-7-5-11-25-24(18)21-8-6-12-29(21)19(2)20-17-30-22(26-20)9-4-10-23(30)28-15-13-27(3)14-16-28;1-26-12-14-27(15-13-26)22-9-3-8-21-25-18(17-29(21)22)16-28-11-5-6-19(28)23-20(30-2)7-4-10-24-23/h4-5,7,9-11,17,19,21H,6,8,12-16H2,1-3H3;3-4,7-10,17,19H,5-6,11-16H2,1-2H3
InChIKeyIVKAPXCHVJKVJZ-UHFFFAOYSA-N
XLogP6.51
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.10
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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

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Related Compounds

WO2022090481, Example I-022
CID 163273430
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
CID 11697270
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1S,5R)-3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 117688594
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
3-(5,6-Dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine
CID 46913421
8-(4,4-dimethylcyclohexyl)-10-methoxy-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299814
4-[5-[6-(4-Methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133254
US10703755, Example 302
CID 132077157
5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)pyridin-2-yl]piperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424505
6-(7-methoxy-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-N-pyrrolidin-3-ylpyridin-2-amine
CID 134284346
4-[8-[4-(Dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645848
4-[8-[[(3R)-1-methylpiperidin-3-yl]methoxy]-5-(3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-6-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647586

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine (CID 145424897) is 2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine is COc1cccnc1C1CCCN1Cc1cn2c(N3CCN(C)CC3)cccc2n1.Cc1cccnc1C1CCCN1C(C)c1cn2c(N3CCN(C)CC3)cccc2n1.
What is the InChIKey of 2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine?
The InChIKey is IVKAPXCHVJKVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6.C23H30N6O/c1-18-7-5-11-25-24(18)21-8-6-12-29(21)19(2)20-17-30-22(26-20)9-4-10-23(30)28-15-13-27(3)14-16-28;1-26-12-14-27(15-13-26)22-9-3-8-21-25-18(17-29(21)22)16-28-11-5-6-19(28)23-20(30-2)7-4-10-24-23/h4-5,7,9-11,17,19,21H,6,8,12-16H2,1-3H3;3-4,7-10,17,19H,5-6,11-16H2,1-2H3.
What are the key properties of 2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine?
2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine has a molecular weight of 811.10 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).