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

C25H31ClN6 — CID 146555508

IUPAC3-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
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)C5(CC5)C4)n3c2Cl)N1
InChIInChI=1S/C25H31ClN6/c1-17-6-5-13-27-22(17)18-7-3-8-19(28-18)23-24(26)32-20(29-23)9-4-10-21(32)31-15-14-30(2)25(16-31)11-12-25/h4-6,9-10,13,18-19,28H,3,7-8,11-12,14-16H2,1-2H3/t18-,19+/m0/s1
InChIKeySAQQUSIITXSACB-RBUKOAKNSA-N
MW451.02 g/mol
LogP4.53
Rot. Bonds3

About 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

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 (PubChem CID 146555508) has the molecular formula C25H31ClN6 and a molecular weight of 451.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID146555508
Molecular FormulaC25H31ClN6
Molecular Weight451.02 g/mol
Exact Mass450.23
IUPAC Name3-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
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)C5(CC5)C4)n3c2Cl)N1
InChIInChI=1S/C25H31ClN6/c1-17-6-5-13-27-22(17)18-7-3-8-19(28-18)23-24(26)32-20(29-23)9-4-10-21(32)31-15-14-30(2)25(16-31)11-12-25/h4-6,9-10,13,18-19,28H,3,7-8,11-12,14-16H2,1-2H3/t18-,19+/m0/s1
InChIKeySAQQUSIITXSACB-RBUKOAKNSA-N
XLogP4.53
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.02
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-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
5-(4,7-diazaspiro[2.5]octan-7-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-piperazin-1-ylimidazo[1,2-a]pyridine;3-(4-methylpiperazin-1-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 157140110
1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine
CID 163885662
2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole
CID 154620190
2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424524
4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 145424904
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
4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 154620200
3-chloropyridine;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;piperidine
CID 145424790
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
1-methyl-5-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperidin-2-one
CID 146555566

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)C5(CC5)C4)n3c2Cl)N1.
What is the InChIKey of 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?
The InChIKey is SAQQUSIITXSACB-RBUKOAKNSA-N. The full InChI is InChI=1S/C25H31ClN6/c1-17-6-5-13-27-22(17)18-7-3-8-19(28-18)23-24(26)32-20(29-23)9-4-10-21(32)31-15-14-30(2)25(16-31)11-12-25/h4-6,9-10,13,18-19,28H,3,7-8,11-12,14-16H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 451.02 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146555508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).