4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C26H25FN6O — CID 25206786

IUPAC4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCn1ncc2cc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)c(F)cc21
InChIInChI=1S/C26H25FN6O/c1-30-25-15-23(27)22(13-20(25)16-28-30)18-6-9-32(26(34)14-18)21-4-5-24-19(12-21)17-29-33(24)11-10-31-7-2-3-8-31/h4-6,9,12-17H,2-3,7-8,10-11H2,1H3
InChIKeyPBMDGGZVBYHWHP-UHFFFAOYSA-N
MW456.53 g/mol
LogP3.98
Rot. Bonds5

About 4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25206786) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25206786
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCn1ncc2cc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)c(F)cc21
InChIInChI=1S/C26H25FN6O/c1-30-25-15-23(27)22(13-20(25)16-28-30)18-6-9-32(26(34)14-18)21-4-5-24-19(12-21)17-29-33(24)11-10-31-7-2-3-8-31/h4-6,9,12-17H,2-3,7-8,10-11H2,1H3
InChIKeyPBMDGGZVBYHWHP-UHFFFAOYSA-N
XLogP3.98
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25206786) is 4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is Cn1ncc2cc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)c(F)cc21.
What is the InChIKey of 4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is PBMDGGZVBYHWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O/c1-30-25-15-23(27)22(13-20(25)16-28-30)18-6-9-32(26(34)14-18)21-4-5-24-19(12-21)17-29-33(24)11-10-31-7-2-3-8-31/h4-6,9,12-17H,2-3,7-8,10-11H2,1H3.
What are the key properties of 4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 456.53 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25206786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).