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

C47H61ClN12 — CID 145424924

IUPAC2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1c(CN2CCCC2c2ncccc2Cl)nc2cccc(N3CCN(C)CC3)n12.Cc1cccnc1C1CCCN1Cc1nc2cccc(N3CCN(C)CC3)n2c1C
InChIInChI=1S/C24H32N6.C23H29ClN6/c1-18-7-5-11-25-24(18)21-8-6-12-29(21)17-20-19(2)30-22(26-20)9-4-10-23(30)28-15-13-27(3)14-16-28;1-17-19(16-29-11-5-7-20(29)23-18(24)6-4-10-25-23)26-21-8-3-9-22(30(17)21)28-14-12-27(2)13-15-28/h4-5,7,9-11,21H,6,8,12-17H2,1-3H3;3-4,6,8-10,20H,5,7,11-16H2,1-2H3
InChIKeyJTJWALWPGFKVRD-UHFFFAOYSA-N
MW829.54 g/mol
LogP7.22
Rot. Bonds8

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

2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 145424924) has the molecular formula C47H61ClN12 and a molecular weight of 829.54 g/mol. Its IUPAC name is 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID145424924
Molecular FormulaC47H61ClN12
Molecular Weight829.54 g/mol
Exact Mass828.48
IUPAC Name2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1c(CN2CCCC2c2ncccc2Cl)nc2cccc(N3CCN(C)CC3)n12.Cc1cccnc1C1CCCN1Cc1nc2cccc(N3CCN(C)CC3)n2c1C
InChIInChI=1S/C24H32N6.C23H29ClN6/c1-18-7-5-11-25-24(18)21-8-6-12-29(21)17-20-19(2)30-22(26-20)9-4-10-23(30)28-15-13-27(3)14-16-28;1-17-19(16-29-11-5-7-20(29)23-18(24)6-4-10-25-23)26-21-8-3-9-22(30(17)21)28-14-12-27(2)13-15-28/h4-5,7,9-11,21H,6,8,12-17H2,1-3H3;3-4,6,8-10,20H,5,7,11-16H2,1-2H3
InChIKeyJTJWALWPGFKVRD-UHFFFAOYSA-N
XLogP7.22
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500829.54
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

10-chloro-8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-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 58299831
2-(4-Chlorophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine
CID 53299376
2-(4-Chlorophenyl)-3-[[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 122183052
N-benzyl-2-(5-chloro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 137651395
1-(3-chloro-phenyl)-N1-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-ethane-1,2-diamine
CID 66546336
3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)pyridin-2-yl]piperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424587
US11420970, Example 180
CID 156073156
US11420970, Example 196
CID 156073192
US11420970, Example 200
CID 156073193
US11420970, Example 191
CID 156073324
US11420970, Example 240
CID 156073385
US11420970, Example 237
CID 156073470

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 145424924) is 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine is Cc1c(CN2CCCC2c2ncccc2Cl)nc2cccc(N3CCN(C)CC3)n12.Cc1cccnc1C1CCCN1Cc1nc2cccc(N3CCN(C)CC3)n2c1C.
What is the InChIKey of 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is JTJWALWPGFKVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6.C23H29ClN6/c1-18-7-5-11-25-24(18)21-8-6-12-29(21)17-20-19(2)30-22(26-20)9-4-10-23(30)28-15-13-27(3)14-16-28;1-17-19(16-29-11-5-7-20(29)23-18(24)6-4-10-25-23)26-21-8-3-9-22(30(17)21)28-14-12-27(2)13-15-28/h4-5,7,9-11,21H,6,8,12-17H2,1-3H3;3-4,6,8-10,20H,5,7,11-16H2,1-2H3.
What are the key properties of 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 829.54 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;3-methyl-5-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).