propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

C26H31ClN4O4 — CID 135335120

IUPACpropan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCOc1cc(OC)c(-c2cn3ccc(NC4CC5CCC(C4)N5C(=O)OC(C)C)cc3n2)cc1Cl
InChIInChI=1S/C26H31ClN4O4/c1-15(2)35-26(32)31-18-5-6-19(31)10-17(9-18)28-16-7-8-30-14-22(29-25(30)11-16)20-12-21(27)24(34-4)13-23(20)33-3/h7-8,11-15,17-19,28H,5-6,9-10H2,1-4H3
InChIKeyAHAAUMJURDSHIL-UHFFFAOYSA-N
MW499.01 g/mol
LogP5.62
Rot. Bonds6

About propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 135335120) has the molecular formula C26H31ClN4O4 and a molecular weight of 499.01 g/mol. Its IUPAC name is propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID135335120
Molecular FormulaC26H31ClN4O4
Molecular Weight499.01 g/mol
Exact Mass498.20
IUPAC Namepropan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCOc1cc(OC)c(-c2cn3ccc(NC4CC5CCC(C4)N5C(=O)OC(C)C)cc3n2)cc1Cl
InChIInChI=1S/C26H31ClN4O4/c1-15(2)35-26(32)31-18-5-6-19(31)10-17(9-18)28-16-7-8-30-14-22(29-25(30)11-16)20-12-21(27)24(34-4)13-23(20)33-3/h7-8,11-15,17-19,28H,5-6,9-10H2,1-4H3
InChIKeyAHAAUMJURDSHIL-UHFFFAOYSA-N
XLogP5.62
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

propan-2-yl (1S,5S)-3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 135335121
tert-butyl (1S,5S)-3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 135335249
tert-butyl (1R,5S)-3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 135335250
2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]acetamide
CID 135335412
2-(5-chloro-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine
CID 135335373
(2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide
CID 135334896
[1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 135334990
1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 135335203
(2S)-2,6-diamino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]hexanamide
CID 135335149
[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-iodopiperidin-4-yl]carbamic acid
CID 135335365
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135334872
2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-amine;hydrochloride
CID 135335467

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 135335120) is propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate is COc1cc(OC)c(-c2cn3ccc(NC4CC5CCC(C4)N5C(=O)OC(C)C)cc3n2)cc1Cl.
What is the InChIKey of propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is AHAAUMJURDSHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O4/c1-15(2)35-26(32)31-18-5-6-19(31)10-17(9-18)28-16-7-8-30-14-22(29-25(30)11-16)20-12-21(27)24(34-4)13-23(20)33-3/h7-8,11-15,17-19,28H,5-6,9-10H2,1-4H3.
What are the key properties of propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 499.01 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 135335120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).