[(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C24H24N4O4 — CID 124887354

IUPAC[(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)O[C@H]3CCCC[C@@H]3OC(=O)c3cn4ccc(C)cc4n3)nc2c1
InChIInChI=1S/C24H24N4O4/c1-15-7-9-27-13-17(25-21(27)11-15)23(29)31-19-5-3-4-6-20(19)32-24(30)18-14-28-10-8-16(2)12-22(28)26-18/h7-14,19-20H,3-6H2,1-2H3/t19-,20-/m0/s1
InChIKeyBOWUWKZKWHRDTR-PMACEKPBSA-N
MW432.48 g/mol
LogP3.92
Rot. Bonds4

About [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 124887354) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID124887354
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name[(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)O[C@H]3CCCC[C@@H]3OC(=O)c3cn4ccc(C)cc4n3)nc2c1
InChIInChI=1S/C24H24N4O4/c1-15-7-9-27-13-17(25-21(27)11-15)23(29)31-19-5-3-4-6-20(19)32-24(30)18-14-28-10-8-16(2)12-22(28)26-18/h7-14,19-20H,3-6H2,1-2H3/t19-,20-/m0/s1
InChIKeyBOWUWKZKWHRDTR-PMACEKPBSA-N
XLogP3.92
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-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

N-cycloheptyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723824
thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 166262248
7-methyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 52530334
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25388515
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94249778
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 51257064
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 46822325
cyclopropyl imidazo[1,2-a]pyridine-2-carboxylate
CID 165133317
1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 28685413
7-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 35242555
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55385830
7-methyl-2-(thian-2-yl)imidazo[1,2-a]pyridine
CID 117134294

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 124887354) is [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1ccn2cc(C(=O)O[C@H]3CCCC[C@@H]3OC(=O)c3cn4ccc(C)cc4n3)nc2c1.
What is the InChIKey of [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is BOWUWKZKWHRDTR-PMACEKPBSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-15-7-9-27-13-17(25-21(27)11-15)23(29)31-19-5-3-4-6-20(19)32-24(30)18-14-28-10-8-16(2)12-22(28)26-18/h7-14,19-20H,3-6H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
[(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 124887354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).