3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine

C23H27N9 — CID 178027743

IUPAC3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
SMILESCN1C2CCC1CN(c1cccc3nc(-c4nc(-c5cnn(C)c5)cnc4N)n(C)c13)C2
InChIInChI=1S/C23H27N9/c1-29-11-14(9-26-29)18-10-25-22(24)20(27-18)23-28-17-5-4-6-19(21(17)31(23)3)32-12-15-7-8-16(13-32)30(15)2/h4-6,9-11,15-16H,7-8,12-13H2,1-3H3,(H2,24,25)
InChIKeyVFKIUMYJGUQSIE-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.30
Rot. Bonds3

About 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine

3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 178027743) has the molecular formula C23H27N9 and a molecular weight of 429.53 g/mol. Its IUPAC name is 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
PubChem CID178027743
Molecular FormulaC23H27N9
Molecular Weight429.53 g/mol
Exact Mass429.24
IUPAC Name3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
SMILESCN1C2CCC1CN(c1cccc3nc(-c4nc(-c5cnn(C)c5)cnc4N)n(C)c13)C2
InChIInChI=1S/C23H27N9/c1-29-11-14(9-26-29)18-10-25-22(24)20(27-18)23-28-17-5-4-6-19(21(17)31(23)3)32-12-15-7-8-16(13-32)30(15)2/h4-6,9-11,15-16H,7-8,12-13H2,1-3H3,(H2,24,25)
InChIKeyVFKIUMYJGUQSIE-UHFFFAOYSA-N
XLogP2.30
TPSA93.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine with MolForge

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Related Compounds

3-[7-[(3S)-3,4-dimethylpiperazin-1-yl]-1-methylbenzimidazol-2-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrazin-2-amine
CID 178027782
3-[5-amino-6-[7-[(3S,5S)-3-amino-5-fluoropiperidin-1-yl]-1-methylbenzimidazol-2-yl]pyrazin-2-yl]-1-methylpyrazole-5-carboxylic acid
CID 178027760
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid
CID 137488723
3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 144824181
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrazin-2-amine
CID 69030587
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066719
3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine
CID 62222615
3-[(5R)-3-[2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]cyclobutane-1-carbonitrile
CID 175983100
3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazin-2-amine
CID 69031089
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;hydrochloride
CID 155661131
3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-(4,4-difluorocyclohexyl)-4-methylbenzenesulfonamide
CID 118470462
tert-butyl (2S)-4-[2-(4-aminopyrimidin-5-yl)-3-methylbenzimidazol-4-yl]-2-methylpiperazine-1-carboxylate
CID 158065470

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine (CID 178027743) is 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine is CN1C2CCC1CN(c1cccc3nc(-c4nc(-c5cnn(C)c5)cnc4N)n(C)c13)C2.
What is the InChIKey of 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is VFKIUMYJGUQSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9/c1-29-11-14(9-26-29)18-10-25-22(24)20(27-18)23-28-17-5-4-6-19(21(17)31(23)3)32-12-15-7-8-16(13-32)30(15)2/h4-6,9-11,15-16H,7-8,12-13H2,1-3H3,(H2,24,25).
What are the key properties of 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 429.53 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 178027743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).