[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane

C32H37N9O3 — CID 160792657

IUPAC[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane
SMILESC.CCOC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.OCc1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
InChIInChI=1S/C17H18N4O2.C14H15N5O.CH4/c1-2-23-17(22)14-7-18-21(9-14)11-15-10-20-8-13(12-3-4-12)5-6-16(20)19-15;20-9-13-8-19(17-16-13)7-12-6-18-5-11(10-1-2-10)3-4-14(18)15-12;/h5-10,12H,2-4,11H2,1H3;3-6,8,10,20H,1-2,7,9H2;1H4
InChIKeySCAITRPKBFUAKJ-UHFFFAOYSA-N
MW595.71 g/mol
LogP4.61
Rot. Bonds9

About [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane

[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane (PubChem CID 160792657) has the molecular formula C32H37N9O3 and a molecular weight of 595.71 g/mol. Its IUPAC name is [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane.

Molecular Properties

Compound Name[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane
PubChem CID160792657
Molecular FormulaC32H37N9O3
Molecular Weight595.71 g/mol
Exact Mass595.30
IUPAC Name[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane
SMILESC.CCOC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.OCc1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
InChIInChI=1S/C17H18N4O2.C14H15N5O.CH4/c1-2-23-17(22)14-7-18-21(9-14)11-15-10-20-8-13(12-3-4-12)5-6-16(20)19-15;20-9-13-8-19(17-16-13)7-12-6-18-5-11(10-1-2-10)3-4-14(18)15-12;/h5-10,12H,2-4,11H2,1H3;3-6,8,10,20H,1-2,7,9H2;1H4
InChIKeySCAITRPKBFUAKJ-UHFFFAOYSA-N
XLogP4.61
TPSA129.66 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.71
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

Ethyl 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]pyrazole-4-carboxylate
CID 139487645
Benzyl 1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139487517
Ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 134202636
ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137450612
methyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 139383780
Ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
CID 139487510
Ethyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487573
1-[(6-Cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 139487903
Ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139488029
Ethyl 1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
CID 139488111
Methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate
CID 139488157
Ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate
CID 139488303

Frequently Asked Questions

What is the IUPAC name of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane?
The IUPAC name of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane (CID 160792657) is [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane.
What is the SMILES notation for [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane?
The canonical SMILES for [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane is C.CCOC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.OCc1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.
What is the InChIKey of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane?
The InChIKey is SCAITRPKBFUAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2.C14H15N5O.CH4/c1-2-23-17(22)14-7-18-21(9-14)11-15-10-20-8-13(12-3-4-12)5-6-16(20)19-15;20-9-13-8-19(17-16-13)7-12-6-18-5-11(10-1-2-10)3-4-14(18)15-12;/h5-10,12H,2-4,11H2,1H3;3-6,8,10,20H,1-2,7,9H2;1H4.
What are the key properties of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane?
[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane has a molecular weight of 595.71 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;methane is sourced from PubChem (CID 160792657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).