methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate

C19H17ClFN3O2 — CID 163389803

IUPACmethyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)c(C1CCCC1)nn2-c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H17ClFN3O2/c1-26-19(25)15-8-9-16-18(22-15)17(11-4-2-3-5-11)23-24(16)12-6-7-13(20)14(21)10-12/h6-11H,2-5H2,1H3
InChIKeyRCCPGYYFSOIHGY-UHFFFAOYSA-N
MW373.82 g/mol
LogP4.66
Rot. Bonds3

About methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate

methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate (PubChem CID 163389803) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate
PubChem CID163389803
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Namemethyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)c(C1CCCC1)nn2-c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H17ClFN3O2/c1-26-19(25)15-8-9-16-18(22-15)17(11-4-2-3-5-11)23-24(16)12-6-7-13(20)14(21)10-12/h6-11H,2-5H2,1H3
InChIKeyRCCPGYYFSOIHGY-UHFFFAOYSA-N
XLogP4.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate (CID 163389803) is methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate is COC(=O)c1ccc2c(n1)c(C1CCCC1)nn2-c1ccc(Cl)c(F)c1.
What is the InChIKey of methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate?
The InChIKey is RCCPGYYFSOIHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-26-19(25)15-8-9-16-18(22-15)17(11-4-2-3-5-11)23-24(16)12-6-7-13(20)14(21)10-12/h6-11H,2-5H2,1H3.
What are the key properties of methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate?
methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate has a molecular weight of 373.82 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-chloro-3-fluorophenyl)-3-cyclopentylpyrazolo[4,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 163389803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).