ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

C21H27ClN4O3 — CID 130409744

IUPACethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(NC(=O)[C@H]3NCCC3C3CCCCC3)cn2c1Cl
InChIInChI=1S/C21H27ClN4O3/c1-2-29-21(28)18-19(22)26-12-14(8-9-16(26)25-18)24-20(27)17-15(10-11-23-17)13-6-4-3-5-7-13/h8-9,12-13,15,17,23H,2-7,10-11H2,1H3,(H,24,27)/t15?,17-/m0/s1
InChIKeyCVYPJXWRPLUPLR-LWKPJOBUSA-N
MW418.93 g/mol
LogP3.66
Rot. Bonds5

About ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 130409744) has the molecular formula C21H27ClN4O3 and a molecular weight of 418.93 g/mol. Its IUPAC name is ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID130409744
Molecular FormulaC21H27ClN4O3
Molecular Weight418.93 g/mol
Exact Mass418.18
IUPAC Nameethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(NC(=O)[C@H]3NCCC3C3CCCCC3)cn2c1Cl
InChIInChI=1S/C21H27ClN4O3/c1-2-29-21(28)18-19(22)26-12-14(8-9-16(26)25-18)24-20(27)17-15(10-11-23-17)13-6-4-3-5-7-13/h8-9,12-13,15,17,23H,2-7,10-11H2,1H3,(H,24,27)/t15?,17-/m0/s1
InChIKeyCVYPJXWRPLUPLR-LWKPJOBUSA-N
XLogP3.66
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

ethyl 5-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylate
CID 130409953
ethyl 6-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1H-benzimidazole-2-carboxylate
CID 118247308
ethyl 5-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1H-indole-2-carboxylate
CID 126493458
methyl 6-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1,3-benzoxazole-2-carboxylate;hydrochloride
CID 118088806
1,3-diethoxypropan-2-yl 5-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylate;hydrochloride
CID 118088905
[(2S)-oxolan-2-yl]methyl 5-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylate
CID 118090036
3-(2-methoxyethoxy)propyl 5-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylate
CID 118089212
4-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-2-fluorobenzoic acid
CID 118101089
(2S)-3-cyclohexyl-N-(1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)pyrrolidine-2-carboxamide
CID 126493482
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (CID 130409744) is ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccc(NC(=O)[C@H]3NCCC3C3CCCCC3)cn2c1Cl.
What is the InChIKey of ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CVYPJXWRPLUPLR-LWKPJOBUSA-N. The full InChI is InChI=1S/C21H27ClN4O3/c1-2-29-21(28)18-19(22)26-12-14(8-9-16(26)25-18)24-20(27)17-15(10-11-23-17)13-6-4-3-5-7-13/h8-9,12-13,15,17,23H,2-7,10-11H2,1H3,(H,24,27)/t15?,17-/m0/s1.
What are the key properties of ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 418.93 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-6-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 130409744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).