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

C26H34N6 — CID 145424263

IUPAC4-(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
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN5CCCC5C4)cccc3[nH]2)N1C
InChIInChI=1S/C26H34N6/c1-18-7-5-13-27-24(18)21-10-4-12-23(30(21)2)26-28-20-9-3-11-22(25(20)29-26)32-16-15-31-14-6-8-19(31)17-32/h3,5,7,9,11,13,19,21,23H,4,6,8,10,12,14-17H2,1-2H3,(H,28,29)/t19?,21-,23+/m0/s1
InChIKeySWTZJSMCPCFLRL-YTVKWDEWSA-N
MW430.60 g/mol
LogP4.45
Rot. Bonds3

About 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

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 (PubChem CID 145424263) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID145424263
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC Name4-(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
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN5CCCC5C4)cccc3[nH]2)N1C
InChIInChI=1S/C26H34N6/c1-18-7-5-13-27-24(18)21-10-4-12-23(30(21)2)26-28-20-9-3-11-22(25(20)29-26)32-16-15-31-14-6-8-19(31)17-32/h3,5,7,9,11,13,19,21,23H,4,6,8,10,12,14-17H2,1-2H3,(H,28,29)/t19?,21-,23+/m0/s1
InChIKeySWTZJSMCPCFLRL-YTVKWDEWSA-N
XLogP4.45
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

4-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 145424480
2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 154620183
2-[(2R,6S)-6-(3-ethyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-[4-(trideuteriomethyl)piperazin-1-yl]-1H-benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(trideuteriomethyl)piperidin-2-yl]-1H-benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trideuteriomethyl)-2-pyridinyl]piperidin-2-yl]-1H-benzimidazole
CID 163669173
4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 145424882
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
(2S,6R)-2-(3,4-dimethyl-2-pyridinyl)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-ol
CID 145424405
2-(3,4-dimethyl-2-pyridinyl)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-ol;ethane
CID 145424353
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-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 145424849
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
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-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN5CCCC5C4)cccc3[nH]2)N1C.
What is the InChIKey of 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?
The InChIKey is SWTZJSMCPCFLRL-YTVKWDEWSA-N. The full InChI is InChI=1S/C26H34N6/c1-18-7-5-13-27-24(18)21-10-4-12-23(30(21)2)26-28-20-9-3-11-22(25(20)29-26)32-16-15-31-14-6-8-19(31)17-32/h3,5,7,9,11,13,19,21,23H,4,6,8,10,12,14-17H2,1-2H3,(H,28,29)/t19?,21-,23+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 430.60 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145424263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).