ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate

C18H18F2N4O2 — CID 139488303

IUPACethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F
InChIInChI=1S/C18H18F2N4O2/c1-2-26-18(25)14-10-24(22-16(14)17(19)20)9-13-8-23-7-12(11-3-4-11)5-6-15(23)21-13/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyHXRPIRXMJVAQER-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.57
Rot. Bonds6

About ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate

ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate (PubChem CID 139488303) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate
PubChem CID139488303
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Nameethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F
InChIInChI=1S/C18H18F2N4O2/c1-2-26-18(25)14-10-24(22-16(14)17(19)20)9-13-8-23-7-12(11-3-4-11)5-6-15(23)21-13/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyHXRPIRXMJVAQER-UHFFFAOYSA-N
XLogP3.57
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate (CID 139488303) is ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate is CCOC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F.
What is the InChIKey of ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate?
The InChIKey is HXRPIRXMJVAQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-2-26-18(25)14-10-24(22-16(14)17(19)20)9-13-8-23-7-12(11-3-4-11)5-6-15(23)21-13/h5-8,10-11,17H,2-4,9H2,1H3.
What are the key properties of ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate?
ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate has a molecular weight of 360.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 139488303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).