2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole

C25H32N6O — CID 154620190

IUPAC2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole
SMILESCOc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN(C)C5(CC5)C4)cccc3[nH]2)N1
InChIInChI=1S/C25H32N6O/c1-30-14-15-31(16-25(30)11-12-25)20-9-4-7-17-22(20)29-24(28-17)19-8-3-6-18(27-19)23-21(32-2)10-5-13-26-23/h4-5,7,9-10,13,18-19,27H,3,6,8,11-12,14-16H2,1-2H3,(H,28,29)/t18-,19+/m0/s1
InChIKeyFKDRMPXVZJLQAJ-RBUKOAKNSA-N
MW432.57 g/mol
LogP3.81
Rot. Bonds4

About 2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole

2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole (PubChem CID 154620190) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole
PubChem CID154620190
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole
SMILESCOc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN(C)C5(CC5)C4)cccc3[nH]2)N1
InChIInChI=1S/C25H32N6O/c1-30-14-15-31(16-25(30)11-12-25)20-9-4-7-17-22(20)29-24(28-17)19-8-3-6-18(27-19)23-21(32-2)10-5-13-26-23/h4-5,7,9-10,13,18-19,27H,3,6,8,11-12,14-16H2,1-2H3,(H,28,29)/t18-,19+/m0/s1
InChIKeyFKDRMPXVZJLQAJ-RBUKOAKNSA-N
XLogP3.81
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole with MolForge

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Launch Full Analysis

Related Compounds

2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 145424245
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
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-1-methyl-7-(4-methylpiperazin-1-yl)benzimidazole;4-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 159970479
4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 154620200
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
2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 154620183
4-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-6-(5-fluoro-3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 154620126
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 145424263
1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine
CID 163885662
4-(4,7-diazaspiro[2.5]octan-7-yl)-2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole;1-(1-methylpiperidin-4-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole
CID 145424203
2-[(2R,6S)-6-[3-cyclopropyl-5-[2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)-1-methylpiperidin-2-yl]-7-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]-2-pyridinyl]-1-methylpiperidin-2-yl]-4-[6-[(2S,6R)-6-[4-(4-cyclopropylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methylpiperidin-2-yl]-5-(trifluoromethyl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 162606966
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545594

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole?
The IUPAC name of 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) is 2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole.
What is the SMILES notation for 2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole?
The canonical SMILES for 2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole is COc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN(C)C5(CC5)C4)cccc3[nH]2)N1.
What is the InChIKey of 2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole?
The InChIKey is FKDRMPXVZJLQAJ-RBUKOAKNSA-N. The full InChI is InChI=1S/C25H32N6O/c1-30-14-15-31(16-25(30)11-12-25)20-9-4-7-17-22(20)29-24(28-17)19-8-3-6-18(27-19)23-21(32-2)10-5-13-26-23/h4-5,7,9-10,13,18-19,27H,3,6,8,11-12,14-16H2,1-2H3,(H,28,29)/t18-,19+/m0/s1.
What are the key properties of 2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole?
2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole has a molecular weight of 432.57 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-benzimidazole is sourced from PubChem (CID 154620190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).