7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine

C19H24N8 — CID 170704876

IUPAC7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESCn1cc(-c2nc3nccc(N4CC5CCC(C4)N5C4CNC4)c3[nH]2)cn1
InChIInChI=1S/C19H24N8/c1-25-9-12(6-22-25)18-23-17-16(4-5-21-19(17)24-18)26-10-13-2-3-14(11-26)27(13)15-7-20-8-15/h4-6,9,13-15,20H,2-3,7-8,10-11H2,1H3,(H,21,23,24)
InChIKeyAASOFRSVOHOAMD-UHFFFAOYSA-N
MW364.46 g/mol
LogP0.98
Rot. Bonds3

About 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine

7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 170704876) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID170704876
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESCn1cc(-c2nc3nccc(N4CC5CCC(C4)N5C4CNC4)c3[nH]2)cn1
InChIInChI=1S/C19H24N8/c1-25-9-12(6-22-25)18-23-17-16(4-5-21-19(17)24-18)26-10-13-2-3-14(11-26)27(13)15-7-20-8-15/h4-6,9,13-15,20H,2-3,7-8,10-11H2,1H3,(H,21,23,24)
InChIKeyAASOFRSVOHOAMD-UHFFFAOYSA-N
XLogP0.98
TPSA77.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-[3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]cyclobutane-1-carbonitrile
CID 170704838
cyclopropyl-[3-[2-(6-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 164572950
2-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclobutan-1-amine
CID 171803789
4-[2-[5-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 136937550
1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropane-1-carboxamide
CID 121249860
3-[(1R,5R)-3-[6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]cyclobutan-1-ol
CID 176888374
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
5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydro-3,1-benzoxazin-2-one
CID 121249944
3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide
CID 172731006
N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 121249705
4-tert-butyl-N-[2-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-2-yl]benzamide
CID 121249938
[3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone
CID 167161414

Frequently Asked Questions

What is the IUPAC name of 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine (CID 170704876) is 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine is Cn1cc(-c2nc3nccc(N4CC5CCC(C4)N5C4CNC4)c3[nH]2)cn1.
What is the InChIKey of 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is AASOFRSVOHOAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-25-9-12(6-22-25)18-23-17-16(4-5-21-19(17)24-18)26-10-13-2-3-14(11-26)27(13)15-7-20-8-15/h4-6,9,13-15,20H,2-3,7-8,10-11H2,1H3,(H,21,23,24).
What are the key properties of 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine?
7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 364.46 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-(azetidin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 170704876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).