benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate

C24H25N5O2 — CID 153431050

IUPACbenzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
SMILESCCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)nn3)nc12
InChIInChI=1S/C24H25N5O2/c1-2-6-19-11-20(18-9-10-18)12-28-13-21(25-23(19)28)14-29-15-22(26-27-29)24(30)31-16-17-7-4-3-5-8-17/h3-5,7-8,11-13,15,18H,2,6,9-10,14,16H2,1H3
InChIKeySCIMVLODXWXBDZ-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.16
Rot. Bonds8

About benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate

benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate (PubChem CID 153431050) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
PubChem CID153431050
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Namebenzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
SMILESCCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)nn3)nc12
InChIInChI=1S/C24H25N5O2/c1-2-6-19-11-20(18-9-10-18)12-28-13-21(25-23(19)28)14-29-15-22(26-27-29)24(30)31-16-17-7-4-3-5-8-17/h3-5,7-8,11-13,15,18H,2,6,9-10,14,16H2,1H3
InChIKeySCIMVLODXWXBDZ-UHFFFAOYSA-N
XLogP4.16
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
Benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 57384112
Dimethyl 2-[[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]methyl]-2-fluoropropanedioate
CID 139487458
Benzyl 7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxylate
CID 57384113
Benzyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 118706489
Ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10802698
Ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
7-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-imidazo[1,2-c]pyrimidine-2-carboxylic acid ethyl ester
CID 11361822
US9884868, Example 274C''
CID 122510556

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
The IUPAC name of benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate (CID 153431050) is benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate.
What is the SMILES notation for benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
The canonical SMILES for benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate is CCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)nn3)nc12.
What is the InChIKey of benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
The InChIKey is SCIMVLODXWXBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-2-6-19-11-20(18-9-10-18)12-28-13-21(25-23(19)28)14-29-15-22(26-27-29)24(30)31-16-17-7-4-3-5-8-17/h3-5,7-8,11-13,15,18H,2,6,9-10,14,16H2,1H3.
What are the key properties of benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?
benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate has a molecular weight of 415.50 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 153431050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).