tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C22H30N4O3 — CID 170734174

IUPACtert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1CC(c2ccnc3nc(C4CCOCC4)[nH]c23)=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H30N4O3/c1-14-13-16(6-10-26(14)21(27)29-22(2,3)4)17-5-9-23-20-18(17)24-19(25-20)15-7-11-28-12-8-15/h5-6,9,14-15H,7-8,10-13H2,1-4H3,(H,23,24,25)
InChIKeyIYVILQWGYOONDA-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.26
Rot. Bonds2

About tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 170734174) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID170734174
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Nametert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1CC(c2ccnc3nc(C4CCOCC4)[nH]c23)=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H30N4O3/c1-14-13-16(6-10-26(14)21(27)29-22(2,3)4)17-5-9-23-20-18(17)24-19(25-20)15-7-11-28-12-8-15/h5-6,9,14-15H,7-8,10-13H2,1-4H3,(H,23,24,25)
InChIKeyIYVILQWGYOONDA-UHFFFAOYSA-N
XLogP4.26
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 170734608
tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate
CID 174181840
7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 174173990
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
tert-butyl (2R)-2-[7-[1-[2-nitro-4-(trifluoromethoxy)benzoyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]morpholine-4-carboxylate
CID 175994365
[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone
CID 170734267
tert-butyl 3-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate
CID 170734136
tert-butyl 4-[4-(5-fluoro-2-methoxyphenyl)-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-yl]-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90421217
3-ethynyl-5-[[(3R)-3-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-7-carbonyl]piperazin-1-yl]methyl]benzenesulfonyl fluoride
CID 167971431
7-chloro-2-cyclopropyl-1H-imidazo[4,5-b]pyridine
CID 67210504
(3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 170734256
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 122687174

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 170734174) is tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC1CC(c2ccnc3nc(C4CCOCC4)[nH]c23)=CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is IYVILQWGYOONDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-14-13-16(6-10-26(14)21(27)29-22(2,3)4)17-5-9-23-20-18(17)24-19(25-20)15-7-11-28-12-8-15/h5-6,9,14-15H,7-8,10-13H2,1-4H3,(H,23,24,25).
What are the key properties of tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 398.51 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 170734174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).