tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C26H31ClN4O3 — CID 175656484

IUPACtert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(Cc1cccc(-c3cnc4ccc(Cl)cn34)n1)CO2
InChIInChI=1S/C26H31ClN4O3/c1-25(2,3)34-24(32)30-11-9-26(10-12-30)14-18(17-33-26)13-20-5-4-6-21(29-20)22-15-28-23-8-7-19(27)16-31(22)23/h4-8,15-16,18H,9-14,17H2,1-3H3
InChIKeyYIWOUKISTWZBQO-UHFFFAOYSA-N
MW483.01 g/mol
LogP5.40
Rot. Bonds3

About tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 175656484) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID175656484
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC Nametert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(Cc1cccc(-c3cnc4ccc(Cl)cn34)n1)CO2
InChIInChI=1S/C26H31ClN4O3/c1-25(2,3)34-24(32)30-11-9-26(10-12-30)14-18(17-33-26)13-20-5-4-6-21(29-20)22-15-28-23-8-7-19(27)16-31(22)23/h4-8,15-16,18H,9-14,17H2,1-3H3
InChIKeyYIWOUKISTWZBQO-UHFFFAOYSA-N
XLogP5.40
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.01
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 132772977
tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate
CID 175281835
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 155987018
tert-butyl (3S,4S)-3-[[6-(6-chloroimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]amino]-4-fluoropyrrolidine-1-carboxylate
CID 164560959
tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961772
tert-butyl (3S,4S)-3-fluoro-4-[[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 163677775
tert-butyl 4-[[6-[(4-chloro-2-fluorobenzoyl)amino]-2-pyridinyl]methyl]piperidine-1-carboxylate
CID 156741888
tert-butyl (3R)-3-(3-hydroxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 67402632
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 155987008
3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;methane
CID 167605713
tert-butyl (2R)-2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 94863807
3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine
CID 70700368

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 175656484) is tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(Cc1cccc(-c3cnc4ccc(Cl)cn34)n1)CO2.
What is the InChIKey of tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is YIWOUKISTWZBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-25(2,3)34-24(32)30-11-9-26(10-12-30)14-18(17-33-26)13-20-5-4-6-21(29-20)22-15-28-23-8-7-19(27)16-31(22)23/h4-8,15-16,18H,9-14,17H2,1-3H3.
What are the key properties of tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 483.01 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 175656484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).