4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride

C24H24ClFN4O2 — CID 66719158

IUPAC4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride
SMILESCOc1ccc(-c2ccn(-c3ccc4c(cnn4CN4CCCC4)c3)c(=O)c2)c(F)c1.Cl
InChIInChI=1S/C24H23FN4O2.ClH/c1-31-20-5-6-21(22(25)14-20)17-8-11-28(24(30)13-17)19-4-7-23-18(12-19)15-26-29(23)16-27-9-2-3-10-27;/h4-8,11-15H,2-3,9-10,16H2,1H3;1H
InChIKeyRIAGYDWZLVWIIS-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.48
Rot. Bonds5

About 4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride

4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride (PubChem CID 66719158) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride
PubChem CID66719158
Molecular FormulaC24H24ClFN4O2
Molecular Weight454.93 g/mol
Exact Mass454.16
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride
SMILESCOc1ccc(-c2ccn(-c3ccc4c(cnn4CN4CCCC4)c3)c(=O)c2)c(F)c1.Cl
InChIInChI=1S/C24H23FN4O2.ClH/c1-31-20-5-6-21(22(25)14-20)17-8-11-28(24(30)13-17)19-4-7-23-18(12-19)15-26-29(23)16-27-9-2-3-10-27;/h4-8,11-15H,2-3,9-10,16H2,1H3;1H
InChIKeyRIAGYDWZLVWIIS-UHFFFAOYSA-N
XLogP4.48
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride (CID 66719158) is 4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride is COc1ccc(-c2ccn(-c3ccc4c(cnn4CN4CCCC4)c3)c(=O)c2)c(F)c1.Cl.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
The InChIKey is RIAGYDWZLVWIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2.ClH/c1-31-20-5-6-21(22(25)14-20)17-8-11-28(24(30)13-17)19-4-7-23-18(12-19)15-26-29(23)16-27-9-2-3-10-27;/h4-8,11-15H,2-3,9-10,16H2,1H3;1H.
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride?
4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride has a molecular weight of 454.93 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-1-[1-(pyrrolidin-1-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 66719158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).