6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine

C22H20FN5O — CID 162659515

IUPAC6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCC2)n1
InChIInChI=1S/C22H20FN5O/c1-29-19-7-4-6-16(23)22(19)17-12-18-15(13-24-17)14-25-28(18)21-9-5-8-20(26-21)27-10-2-3-11-27/h4-9,12-14H,2-3,10-11H2,1H3
InChIKeyXIQVWHWRHMNJTC-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.23
Rot. Bonds4

About 6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine

6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine (PubChem CID 162659515) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
PubChem CID162659515
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCC2)n1
InChIInChI=1S/C22H20FN5O/c1-29-19-7-4-6-16(23)22(19)17-12-18-15(13-24-17)14-25-28(18)21-9-5-8-20(26-21)27-10-2-3-11-27/h4-9,12-14H,2-3,10-11H2,1H3
InChIKeyXIQVWHWRHMNJTC-UHFFFAOYSA-N
XLogP4.23
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine (CID 162659515) is 6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCC2)n1.
What is the InChIKey of 6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine?
The InChIKey is XIQVWHWRHMNJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-29-19-7-4-6-16(23)22(19)17-12-18-15(13-24-17)14-25-28(18)21-9-5-8-20(26-21)27-10-2-3-11-27/h4-9,12-14H,2-3,10-11H2,1H3.
What are the key properties of 6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine?
6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine has a molecular weight of 389.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162659515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).