methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate

C97H75Cl5FN15O11S2 — CID 161490019

IUPACmethyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccc(F)cc3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(-c3ccco3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(-c3cccs3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(-c3ccsc3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(C3(C)CC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C21H15ClFN3O2.C19H14ClN3O3.2C19H14ClN3O2S.C19H18ClN3O2/c1-28-21(27)18-4-2-3-16(24-18)11-17-19-10-7-14(22)12-26(19)25-20(17)13-5-8-15(23)9-6-13;2*1-25-19(24)15-5-2-4-13(21-15)10-14-16-8-7-12(20)11-23(16)22-18(14)17-6-3-9-26-17;1-25-19(24)16-4-2-3-14(21-16)9-15-17-6-5-13(20)10-23(17)22-18(15)12-7-8-26-11-12;1-19(8-9-19)17-14(16-7-6-12(20)11-23(16)22-17)10-13-4-3-5-15(21-13)18(24)25-2/h2-10,12H,11H2,1H3;2*2-9,11H,10H2,1H3;2-8,10-11H,9H2,1H3;3-7,11H,8-10H2,1-2H3
InChIKeyWFMBTBCPIFUYNP-UHFFFAOYSA-N
MW1887.16 g/mol
LogP21.38
Rot. Bonds20

About methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate

methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate (PubChem CID 161490019) has the molecular formula C97H75Cl5FN15O11S2 and a molecular weight of 1887.16 g/mol. Its IUPAC name is methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
PubChem CID161490019
Molecular FormulaC97H75Cl5FN15O11S2
Molecular Weight1887.16 g/mol
Exact Mass1883.36
IUPAC Namemethyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccc(F)cc3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(-c3ccco3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(-c3cccs3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(-c3ccsc3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(C3(C)CC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C21H15ClFN3O2.C19H14ClN3O3.2C19H14ClN3O2S.C19H18ClN3O2/c1-28-21(27)18-4-2-3-16(24-18)11-17-19-10-7-14(22)12-26(19)25-20(17)13-5-8-15(23)9-6-13;2*1-25-19(24)15-5-2-4-13(21-15)10-14-16-8-7-12(20)11-23(16)22-18(14)17-6-3-9-26-17;1-25-19(24)16-4-2-3-14(21-16)9-15-17-6-5-13(20)10-23(17)22-18(15)12-7-8-26-11-12;1-19(8-9-19)17-14(16-7-6-12(20)11-23(16)22-17)10-13-4-3-5-15(21-13)18(24)25-2/h2-10,12H,11H2,1H3;2*2-9,11H,10H2,1H3;2-8,10-11H,9H2,1H3;3-7,11H,8-10H2,1-2H3
InChIKeyWFMBTBCPIFUYNP-UHFFFAOYSA-N
XLogP21.38
TPSA295.59 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001887.16
LogP ≤ 521.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate (CID 161490019) is methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(-c3ccc(F)cc3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(-c3ccco3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(-c3cccs3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(-c3ccsc3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(Cc2c(C3(C)CC3)nn3cc(Cl)ccc23)n1.
What is the InChIKey of methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
The InChIKey is WFMBTBCPIFUYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2.C19H14ClN3O3.2C19H14ClN3O2S.C19H18ClN3O2/c1-28-21(27)18-4-2-3-16(24-18)11-17-19-10-7-14(22)12-26(19)25-20(17)13-5-8-15(23)9-6-13;2*1-25-19(24)15-5-2-4-13(21-15)10-14-16-8-7-12(20)11-23(16)22-18(14)17-6-3-9-26-17;1-25-19(24)16-4-2-3-14(21-16)9-15-17-6-5-13(20)10-23(17)22-18(15)12-7-8-26-11-12;1-19(8-9-19)17-14(16-7-6-12(20)11-23(16)22-17)10-13-4-3-5-15(21-13)18(24)25-2/h2-10,12H,11H2,1H3;2*2-9,11H,10H2,1H3;2-8,10-11H,9H2,1H3;3-7,11H,8-10H2,1-2H3.
What are the key properties of methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate has a molecular weight of 1887.16 g/mol, XLogP of 21.38, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(furan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 161490019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).