(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

C20H17ClN4O2 — CID 38299688

IUPAC(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
SMILESCc1ccc2nc(COC(=O)c3cnn(Cc4ccccc4Cl)c3)cn2c1
InChIInChI=1S/C20H17ClN4O2/c1-14-6-7-19-23-17(12-24(19)9-14)13-27-20(26)16-8-22-25(11-16)10-15-4-2-3-5-18(15)21/h2-9,11-12H,10,13H2,1H3
InChIKeyHYZSOEYVAIZUFK-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.90
Rot. Bonds5

About (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate (PubChem CID 38299688) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
PubChem CID38299688
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
SMILESCc1ccc2nc(COC(=O)c3cnn(Cc4ccccc4Cl)c3)cn2c1
InChIInChI=1S/C20H17ClN4O2/c1-14-6-7-19-23-17(12-24(19)9-14)13-27-20(26)16-8-22-25(11-16)10-15-4-2-3-5-18(15)21/h2-9,11-12H,10,13H2,1H3
InChIKeyHYZSOEYVAIZUFK-UHFFFAOYSA-N
XLogP3.90
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
benzyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494359
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 18169852
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 167866574
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 18099823
ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
ethyl 1-[(2-aminophenyl)methyl]pyrazole-4-carboxylate
CID 81498202
ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139505017
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxybenzoate
CID 18099535
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-methylindole-3-carboxylate
CID 9380138
ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139488143

Frequently Asked Questions

What is the IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate?
The IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate (CID 38299688) is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate is Cc1ccc2nc(COC(=O)c3cnn(Cc4ccccc4Cl)c3)cn2c1.
What is the InChIKey of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate?
The InChIKey is HYZSOEYVAIZUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-14-6-7-19-23-17(12-24(19)9-14)13-27-20(26)16-8-22-25(11-16)10-15-4-2-3-5-18(15)21/h2-9,11-12H,10,13H2,1H3.
What are the key properties of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate?
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate has a molecular weight of 380.84 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 38299688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).