(3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone

C26H24N8O3 — CID 159146173

IUPAC(3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
SMILES[C-]#[N+]c1cc(C)c(Oc2cc(Nc3ccc(C(=O)N4CC(O)(C5CC5)C4)cn3)c3ncn(C)c3n2)cn1
InChIInChI=1S/C26H24N8O3/c1-15-8-21(27-2)29-11-19(15)37-22-9-18(23-24(32-22)33(3)14-30-23)31-20-7-4-16(10-28-20)25(35)34-12-26(36,13-34)17-5-6-17/h4,7-11,14,17,36H,5-6,12-13H2,1,3H3,(H,28,31,32)
InChIKeyKISADZVDUOVOCY-UHFFFAOYSA-N
MW496.53 g/mol
LogP3.75
Rot. Bonds6

About (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone (PubChem CID 159146173) has the molecular formula C26H24N8O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
PubChem CID159146173
Molecular FormulaC26H24N8O3
Molecular Weight496.53 g/mol
Exact Mass496.20
IUPAC Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
SMILES[C-]#[N+]c1cc(C)c(Oc2cc(Nc3ccc(C(=O)N4CC(O)(C5CC5)C4)cn3)c3ncn(C)c3n2)cn1
InChIInChI=1S/C26H24N8O3/c1-15-8-21(27-2)29-11-19(15)37-22-9-18(23-24(32-22)33(3)14-30-23)31-20-7-4-16(10-28-20)25(35)34-12-26(36,13-34)17-5-6-17/h4,7-11,14,17,36H,5-6,12-13H2,1,3H3,(H,28,31,32)
InChIKeyKISADZVDUOVOCY-UHFFFAOYSA-N
XLogP3.75
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138560280
5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methyl-N-[6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)pyridazin-3-yl]imidazo[4,5-b]pyridin-7-amine
CID 160851536
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753419
4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 170152532
tert-butyl 4-[6-[[5-[(2-cyano-4-methyl-1,2-dihydropyridin-5-yl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 170336484
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 104786148
(4-ethylpiperazin-1-yl)-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109154845
ethyl 4-[6-(2,3-dimethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160323
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109158432
[6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109161744

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone (CID 159146173) is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone is [C-]#[N+]c1cc(C)c(Oc2cc(Nc3ccc(C(=O)N4CC(O)(C5CC5)C4)cn3)c3ncn(C)c3n2)cn1.
What is the InChIKey of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone?
The InChIKey is KISADZVDUOVOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O3/c1-15-8-21(27-2)29-11-19(15)37-22-9-18(23-24(32-22)33(3)14-30-23)31-20-7-4-16(10-28-20)25(35)34-12-26(36,13-34)17-5-6-17/h4,7-11,14,17,36H,5-6,12-13H2,1,3H3,(H,28,31,32).
What are the key properties of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone?
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone has a molecular weight of 496.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 159146173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).