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

C22H24N6O — CID 164572950

IUPACcyclopropyl-[3-[2-(6-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1ccc(-c2nc3nccc(N4CC5CCC(C4)N5C(=O)C4CC4)c3[nH]2)cn1
InChIInChI=1S/C22H24N6O/c1-13-2-3-15(10-24-13)20-25-19-18(8-9-23-21(19)26-20)27-11-16-6-7-17(12-27)28(16)22(29)14-4-5-14/h2-3,8-10,14,16-17H,4-7,11-12H2,1H3,(H,23,25,26)
InChIKeyTVQFPXXPTHHFTQ-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.92
Rot. Bonds3

About 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

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 (PubChem CID 164572950) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecyclopropyl-[3-[2-(6-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID164572950
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Namecyclopropyl-[3-[2-(6-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1ccc(-c2nc3nccc(N4CC5CCC(C4)N5C(=O)C4CC4)c3[nH]2)cn1
InChIInChI=1S/C22H24N6O/c1-13-2-3-15(10-24-13)20-25-19-18(8-9-23-21(19)26-20)27-11-16-6-7-17(12-27)28(16)22(29)14-4-5-14/h2-3,8-10,14,16-17H,4-7,11-12H2,1H3,(H,23,25,26)
InChIKeyTVQFPXXPTHHFTQ-UHFFFAOYSA-N
XLogP2.92
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

[3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone
CID 164572943
[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
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
3-[2-(1-fluorocyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 172817165
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
7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84695504
N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137041994
3-ethyl-8-(6-methyl-3-pyridinyl)-7H-purine-2,6-dione
CID 115925584
cyclopropyl-[(1R,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 155558729
N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137014616
N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137056095
5-[[4-[(1S,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-2-yl]amino]-3-methylpyridine-2-carboxamide
CID 118878303

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2nc3nccc(N4CC5CCC(C4)N5C(=O)C4CC4)c3[nH]2)cn1.
What is the InChIKey of 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?
The InChIKey is TVQFPXXPTHHFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-13-2-3-15(10-24-13)20-25-19-18(8-9-23-21(19)26-20)27-11-16-6-7-17(12-27)28(16)22(29)14-4-5-14/h2-3,8-10,14,16-17H,4-7,11-12H2,1H3,(H,23,25,26).
What are the key properties of 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?
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 has a molecular weight of 388.48 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164572950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).