methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate

C24H23FN6O3 — CID 162655771

IUPACmethyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1
InChIInChI=1S/C24H23FN6O3/c1-33-20-6-3-5-17(25)23(20)18-13-19-16(14-26-18)15-27-31(19)22-8-4-7-21(28-22)29-9-11-30(12-10-29)24(32)34-2/h3-8,13-15H,9-12H2,1-2H3
InChIKeyHVGWYVFDMASJFZ-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.52
Rot. Bonds4

About methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate

methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 162655771) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID162655771
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC Namemethyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1
InChIInChI=1S/C24H23FN6O3/c1-33-20-6-3-5-17(25)23(20)18-13-19-16(14-26-18)15-27-31(19)22-8-4-7-21(28-22)29-9-11-30(12-10-29)24(32)34-2/h3-8,13-15H,9-12H2,1-2H3
InChIKeyHVGWYVFDMASJFZ-UHFFFAOYSA-N
XLogP3.52
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate (CID 162655771) is methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate is COC(=O)N1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1.
What is the InChIKey of methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is HVGWYVFDMASJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-33-20-6-3-5-17(25)23(20)18-13-19-16(14-26-18)15-27-31(19)22-8-4-7-21(28-22)29-9-11-30(12-10-29)24(32)34-2/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate?
methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 462.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 162655771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).