3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine

C24H23FN4O2 — CID 130247776

IUPAC3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine
SMILESCOc1cccc(Oc2ccc(-c3nn([C@@H]4CCNC4)c4c(C)cncc34)cc2)c1F
InChIInChI=1S/C24H23FN4O2/c1-15-12-27-14-19-23(28-29(24(15)19)17-10-11-26-13-17)16-6-8-18(9-7-16)31-21-5-3-4-20(30-2)22(21)25/h3-9,12,14,17,26H,10-11,13H2,1-2H3/t17-/m1/s1
InChIKeySXIQTMGOFBWZLN-QGZVFWFLSA-N
MW418.47 g/mol
LogP4.88
Rot. Bonds5

About 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine

3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine (PubChem CID 130247776) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine
PubChem CID130247776
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine
SMILESCOc1cccc(Oc2ccc(-c3nn([C@@H]4CCNC4)c4c(C)cncc34)cc2)c1F
InChIInChI=1S/C24H23FN4O2/c1-15-12-27-14-19-23(28-29(24(15)19)17-10-11-26-13-17)16-6-8-18(9-7-16)31-21-5-3-4-20(30-2)22(21)25/h3-9,12,14,17,26H,10-11,13H2,1-2H3/t17-/m1/s1
InChIKeySXIQTMGOFBWZLN-QGZVFWFLSA-N
XLogP4.88
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine?
The IUPAC name of 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine (CID 130247776) is 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine?
The canonical SMILES for 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine is COc1cccc(Oc2ccc(-c3nn([C@@H]4CCNC4)c4c(C)cncc34)cc2)c1F.
What is the InChIKey of 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine?
The InChIKey is SXIQTMGOFBWZLN-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-15-12-27-14-19-23(28-29(24(15)19)17-10-11-26-13-17)16-6-8-18(9-7-16)31-21-5-3-4-20(30-2)22(21)25/h3-9,12,14,17,26H,10-11,13H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine?
3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine has a molecular weight of 418.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 130247776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).