4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one

C27H27N7O — CID 137146398

IUPAC4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
SMILESCc1c(-c2ccnc3[nH]ccc23)c[nH]c(=O)c1-c1nc2ccc(N3CC4CCC(C3)N4C)cc2[nH]1
InChIInChI=1S/C27H27N7O/c1-15-21(19-7-9-28-25-20(19)8-10-29-25)12-30-27(35)24(15)26-31-22-6-5-16(11-23(22)32-26)34-13-17-3-4-18(14-34)33(17)2/h5-12,17-18H,3-4,13-14H2,1-2H3,(H,28,29)(H,30,35)(H,31,32)
InChIKeyZJTKFZGSBBLPMO-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.05
Rot. Bonds3

About 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one

4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one (PubChem CID 137146398) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
PubChem CID137146398
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
SMILESCc1c(-c2ccnc3[nH]ccc23)c[nH]c(=O)c1-c1nc2ccc(N3CC4CCC(C3)N4C)cc2[nH]1
InChIInChI=1S/C27H27N7O/c1-15-21(19-7-9-28-25-20(19)8-10-29-25)12-30-27(35)24(15)26-31-22-6-5-16(11-23(22)32-26)34-13-17-3-4-18(14-34)33(17)2/h5-12,17-18H,3-4,13-14H2,1-2H3,(H,28,29)(H,30,35)(H,31,32)
InChIKeyZJTKFZGSBBLPMO-UHFFFAOYSA-N
XLogP4.05
TPSA96.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

3-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-4-[[(1S)-1-pyrimidin-2-ylethyl]amino]-1H-quinolin-2-one
CID 137394565
ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one
CID 143458278
4-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136621476
4-(cyclopentylamino)-3-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7H-thieno[2,3-b]pyridin-6-one
CID 137288833
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371
3-[6-[(2R)-2-methylmorpholin-4-yl]-1H-benzimidazol-2-yl]-4-[[(1S)-1-pyrimidin-2-ylethyl]amino]-1H-quinolin-2-one
CID 137394563
3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820201
7-hydroxy-4-(phosphanylmethyl)-6-[6-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-benzimidazol-2-yl]thieno[3,2-b]pyridin-5-one
CID 166930025
3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrazin-2-ylethylamino)-1H-quinolin-2-one
CID 137393959
4-[2-[2-oxo-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1H-quinolin-3-yl]-3H-benzimidazol-5-yl]morpholine-2-carboxylic acid
CID 137393967
5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 137146396
4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7H-thieno[2,3-b]pyridin-6-one
CID 137292823

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one (CID 137146398) is 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one is Cc1c(-c2ccnc3[nH]ccc23)c[nH]c(=O)c1-c1nc2ccc(N3CC4CCC(C3)N4C)cc2[nH]1.
What is the InChIKey of 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
The InChIKey is ZJTKFZGSBBLPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-15-21(19-7-9-28-25-20(19)8-10-29-25)12-30-27(35)24(15)26-31-22-6-5-16(11-23(22)32-26)34-13-17-3-4-18(14-34)33(17)2/h5-12,17-18H,3-4,13-14H2,1-2H3,(H,28,29)(H,30,35)(H,31,32).
What are the key properties of 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one has a molecular weight of 465.56 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137146398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).