[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone

C23H27ClN4O2 — CID 46701613

IUPAC[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone
SMILESCCOc1ccc(C)nc1C(=O)N1CCCC[C@H]1Cc1nc2c(C)cccn2c1Cl
InChIInChI=1S/C23H27ClN4O2/c1-4-30-19-11-10-16(3)25-20(19)23(29)27-12-6-5-9-17(27)14-18-21(24)28-13-7-8-15(2)22(28)26-18/h7-8,10-11,13,17H,4-6,9,12,14H2,1-3H3/t17-/m0/s1
InChIKeySTFIWOCEXPFNML-KRWDZBQOSA-N
MW426.95 g/mol
LogP4.64
Rot. Bonds5

About [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone

[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone (PubChem CID 46701613) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone
PubChem CID46701613
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone
SMILESCCOc1ccc(C)nc1C(=O)N1CCCC[C@H]1Cc1nc2c(C)cccn2c1Cl
InChIInChI=1S/C23H27ClN4O2/c1-4-30-19-11-10-16(3)25-20(19)23(29)27-12-6-5-9-17(27)14-18-21(24)28-13-7-8-15(2)22(28)26-18/h7-8,10-11,13,17H,4-6,9,12,14H2,1-3H3/t17-/m0/s1
InChIKeySTFIWOCEXPFNML-KRWDZBQOSA-N
XLogP4.64
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride
CID 68942275
[(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone
CID 46701483
[(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride
CID 46701604
(2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid
CID 68665785
[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone
CID 67442661
[2-[(5,7-dimethylidene-3a,4-dihydroindole-4,6-diylium-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone
CID 91450189
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
[2-(2-bromoethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80665458
(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 83685848
[(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 25166941
(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 95111716
[4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 53132265

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone (CID 46701613) is [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone is CCOc1ccc(C)nc1C(=O)N1CCCC[C@H]1Cc1nc2c(C)cccn2c1Cl.
What is the InChIKey of [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone?
The InChIKey is STFIWOCEXPFNML-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-4-30-19-11-10-16(3)25-20(19)23(29)27-12-6-5-9-17(27)14-18-21(24)28-13-7-8-15(2)22(28)26-18/h7-8,10-11,13,17H,4-6,9,12,14H2,1-3H3/t17-/m0/s1.
What are the key properties of [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone?
[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone has a molecular weight of 426.95 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 46701613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).