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

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

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Related Compounds

1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555167
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
CID 155817683
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390673
5-(4-Methoxyphenyl)-3-[(2-pyridin-3-ylpiperidin-1-yl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4917699
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine
CID 10277876
N-Butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-pyridinamine
CID 10293771
Ethyl 3-(3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44225585
4-(2-Methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767048
4-(2-Ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767125
4-(4-Methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767127
4-(4-Fluoro-2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767286

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).