4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C26H25F3N4O2 — CID 25206612

IUPAC4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1
InChIInChI=1S/C26H25F3N4O2/c1-18-14-22(35-26(27,28)29)5-6-23(18)19-8-11-32(25(34)16-19)21-4-7-24-20(15-21)17-30-33(24)13-12-31-9-2-3-10-31/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3
InChIKeyKBDIDGDXWYOODQ-UHFFFAOYSA-N
MW482.51 g/mol
LogP5.16
Rot. Bonds6

About 4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25206612) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25206612
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1
InChIInChI=1S/C26H25F3N4O2/c1-18-14-22(35-26(27,28)29)5-6-23(18)19-8-11-32(25(34)16-19)21-4-7-24-20(15-21)17-30-33(24)13-12-31-9-2-3-10-31/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3
InChIKeyKBDIDGDXWYOODQ-UHFFFAOYSA-N
XLogP5.16
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25206612) is 4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is Cc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1.
What is the InChIKey of 4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is KBDIDGDXWYOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-18-14-22(35-26(27,28)29)5-6-23(18)19-8-11-32(25(34)16-19)21-4-7-24-20(15-21)17-30-33(24)13-12-31-9-2-3-10-31/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3.
What are the key properties of 4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 482.51 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25206612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).