3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine

C26H35ClN6 — CID 145424694

IUPAC3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C(C)C)CC4)n3c2Cl)N1C
InChIInChI=1S/C26H35ClN6/c1-18(2)31-14-16-32(17-15-31)23-12-6-11-22-29-25(26(27)33(22)23)21-10-5-9-20(30(21)4)24-19(3)8-7-13-28-24/h6-8,11-13,18,20-21H,5,9-10,14-17H2,1-4H3/t20-,21+/m0/s1
InChIKeyDFMNNCWWIFOXIX-LEWJYISDSA-N
MW467.06 g/mol
LogP5.12
Rot. Bonds4

About 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine

3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 145424694) has the molecular formula C26H35ClN6 and a molecular weight of 467.06 g/mol. Its IUPAC name is 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID145424694
Molecular FormulaC26H35ClN6
Molecular Weight467.06 g/mol
Exact Mass466.26
IUPAC Name3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C(C)C)CC4)n3c2Cl)N1C
InChIInChI=1S/C26H35ClN6/c1-18(2)31-14-16-32(17-15-31)23-12-6-11-22-29-25(26(27)33(22)23)21-10-5-9-20(30(21)4)24-19(3)8-7-13-28-24/h6-8,11-13,18,20-21H,5,9-10,14-17H2,1-4H3/t20-,21+/m0/s1
InChIKeyDFMNNCWWIFOXIX-LEWJYISDSA-N
XLogP5.12
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.06
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 155373915
3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 146555557
3-chloro-5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 146555508
5-(4-cyclopropylpiperazin-1-yl)-2-[(6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 155373984
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 146555446
[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 145424532
[5-amino-2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 156621895
N-[[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276084
2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424641
2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-pyridin-3-ylimidazo[1,2-a]pyridine
CID 146555533
1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine
CID 163885662
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine
CID 162531759

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 145424694) is 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C(C)C)CC4)n3c2Cl)N1C.
What is the InChIKey of 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is DFMNNCWWIFOXIX-LEWJYISDSA-N. The full InChI is InChI=1S/C26H35ClN6/c1-18(2)31-14-16-32(17-15-31)23-12-6-11-22-29-25(26(27)33(22)23)21-10-5-9-20(30(21)4)24-19(3)8-7-13-28-24/h6-8,11-13,18,20-21H,5,9-10,14-17H2,1-4H3/t20-,21+/m0/s1.
What are the key properties of 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 467.06 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).