tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate

C20H29N5O2 — CID 174181840

IUPACtert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate
SMILESCN1CCC(c2ccnc3nc(C4CN(C(=O)OC(C)(C)C)C4)[nH]c23)CC1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)27-19(26)25-11-14(12-25)17-22-16-15(5-8-21-18(16)23-17)13-6-9-24(4)10-7-13/h5,8,13-14H,6-7,9-12H2,1-4H3,(H,21,22,23)
InChIKeyMTJNVEMNHICYEA-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.10
Rot. Bonds2

About tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate

tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate (PubChem CID 174181840) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate
PubChem CID174181840
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Nametert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate
SMILESCN1CCC(c2ccnc3nc(C4CN(C(=O)OC(C)(C)C)C4)[nH]c23)CC1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)27-19(26)25-11-14(12-25)17-22-16-15(5-8-21-18(16)23-17)13-6-9-24(4)10-7-13/h5,8,13-14H,6-7,9-12H2,1-4H3,(H,21,22,23)
InChIKeyMTJNVEMNHICYEA-UHFFFAOYSA-N
XLogP3.10
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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 (3R)-3-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]azepane-1-carboxylate
CID 175994299
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
ethane;[4-[2-(3-methoxycyclohexyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
CID 170734284
[4-(pentafluoro-λ6-sulfanyl)phenyl]-[4-(2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
CID 170734633
tert-butyl 4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 170734608
[4-(2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 170734259
4-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)piperidine-1-carboxylic acid
CID 174174048
[4-[2-[(1S,3S)-3-aminocyclohexyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 175994345
[4-[2-[(2S)-oxolan-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174173816
tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
CID 66641449
[4-[2-(2-methoxypropan-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 170734420

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate (CID 174181840) is tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate is CN1CCC(c2ccnc3nc(C4CN(C(=O)OC(C)(C)C)C4)[nH]c23)CC1.
What is the InChIKey of tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate?
The InChIKey is MTJNVEMNHICYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-20(2,3)27-19(26)25-11-14(12-25)17-22-16-15(5-8-21-18(16)23-17)13-6-9-24(4)10-7-13/h5,8,13-14H,6-7,9-12H2,1-4H3,(H,21,22,23).
What are the key properties of tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate?
tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate has a molecular weight of 371.49 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[7-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate is sourced from PubChem (CID 174181840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).