methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate

C22H16BrF2N3O3 — CID 131735838

IUPACmethyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2nn(-c3c(F)cccc3F)c3c(Br)cnc(OC)c23)cc1
InChIInChI=1S/C22H16BrF2N3O3/c1-30-17(29)10-12-6-8-13(9-7-12)19-18-20(14(23)11-26-22(18)31-2)28(27-19)21-15(24)4-3-5-16(21)25/h3-9,11H,10H2,1-2H3
InChIKeyBRZSVVSRXXQEAE-UHFFFAOYSA-N
MW488.29 g/mol
LogP4.85
Rot. Bonds5

About methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate

methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate (PubChem CID 131735838) has the molecular formula C22H16BrF2N3O3 and a molecular weight of 488.29 g/mol. Its IUPAC name is methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate
PubChem CID131735838
Molecular FormulaC22H16BrF2N3O3
Molecular Weight488.29 g/mol
Exact Mass487.03
IUPAC Namemethyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2nn(-c3c(F)cccc3F)c3c(Br)cnc(OC)c23)cc1
InChIInChI=1S/C22H16BrF2N3O3/c1-30-17(29)10-12-6-8-13(9-7-12)19-18-20(14(23)11-26-22(18)31-2)28(27-19)21-15(24)4-3-5-16(21)25/h3-9,11H,10H2,1-2H3
InChIKeyBRZSVVSRXXQEAE-UHFFFAOYSA-N
XLogP4.85
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.29
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate with MolForge

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Related Compounds

4-(1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-N-methylbenzamide
CID 117987531
2-[3-[7-Bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetonitrile
CID 117987611
2-(4-(7-bromo-1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)-N-methylacetamide
CID 117987639
(4-(7-bromo-1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)acetonitrile
CID 117987645
(4-(7-bromo-1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)acetic acid
CID 117987778
(4-(1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)acetonitrile
CID 117987845
2-[4-[1-(2,6-Difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]phenyl]acetic acid
CID 117987980
methyl 4-(7-chloro-1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4.3-c]pyridin-3-yl)benzoate
CID 117988025
4-(7-chloro-1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 117988151
4-(4-(7-bromo-1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)morpholine
CID 117988182
2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]-N-cyclopropylacetamide
CID 117988189
1-(3-(1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)-N,N-dimethylmethanamine
CID 117988236

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate (CID 131735838) is methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate is COC(=O)Cc1ccc(-c2nn(-c3c(F)cccc3F)c3c(Br)cnc(OC)c23)cc1.
What is the InChIKey of methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate?
The InChIKey is BRZSVVSRXXQEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrF2N3O3/c1-30-17(29)10-12-6-8-13(9-7-12)19-18-20(14(23)11-26-22(18)31-2)28(27-19)21-15(24)4-3-5-16(21)25/h3-9,11H,10H2,1-2H3.
What are the key properties of methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate?
methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate has a molecular weight of 488.29 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[7-bromo-1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,5-c]pyridin-3-yl]phenyl]acetate is sourced from PubChem (CID 131735838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).