tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate

C24H30ClN5O3 — CID 166961772

IUPACtert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)Oc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1Cl
InChIInChI=1S/C24H30ClN5O3/c1-15(2)32-20-11-22-26-12-19(30(22)14-17(20)25)18-7-6-8-21(28-18)27-16-9-10-29(13-16)23(31)33-24(3,4)5/h6-8,11-12,14-16H,9-10,13H2,1-5H3,(H,27,28)
InChIKeyGBZBUVZFZZJXGB-UHFFFAOYSA-N
MW471.99 g/mol
LogP5.26
Rot. Bonds5

About tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate

tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate (PubChem CID 166961772) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
PubChem CID166961772
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Nametert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)Oc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1Cl
InChIInChI=1S/C24H30ClN5O3/c1-15(2)32-20-11-22-26-12-19(30(22)14-17(20)25)18-7-6-8-21(28-18)27-16-9-10-29(13-16)23(31)33-24(3,4)5/h6-8,11-12,14-16H,9-10,13H2,1-5H3,(H,27,28)
InChIKeyGBZBUVZFZZJXGB-UHFFFAOYSA-N
XLogP5.26
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961888
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 3-[[6-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166962176
tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 164560908
tert-butyl 3-[[6-[7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 167122404
6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine
CID 170240924
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-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]pyrrolidine-1-carboxylate
CID 58857733
tert-butyl (3R)-3-[[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 169090339
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375
tert-butyl (3S,4S)-3-[[6-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]amino]-4-fluoropyrrolidine-1-carboxylate
CID 164560906
methyl 3-[6-[[(3S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 163784857

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate (CID 166961772) is tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate is CC(C)Oc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1Cl.
What is the InChIKey of tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is GBZBUVZFZZJXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-15(2)32-20-11-22-26-12-19(30(22)14-17(20)25)18-7-6-8-21(28-18)27-16-9-10-29(13-16)23(31)33-24(3,4)5/h6-8,11-12,14-16H,9-10,13H2,1-5H3,(H,27,28).
What are the key properties of tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 471.99 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 166961772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).