4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one

C26H25F3N4O2 — CID 25055557

IUPAC4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(c1)c(C(F)(F)F)nn2CCN1CCCC1
InChIInChI=1S/C26H25F3N4O2/c27-26(28,29)25-22-16-20(8-9-23(22)33(30-25)15-14-31-11-4-5-12-31)32-13-10-21(17-24(32)34)35-18-19-6-2-1-3-7-19/h1-3,6-10,13,16-17H,4-5,11-12,14-15,18H2
InChIKeyMXTUHIAWCCEWJU-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.88
Rot. Bonds7

About 4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one

4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25055557) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
PubChem CID25055557
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(c1)c(C(F)(F)F)nn2CCN1CCCC1
InChIInChI=1S/C26H25F3N4O2/c27-26(28,29)25-22-16-20(8-9-23(22)33(30-25)15-14-31-11-4-5-12-31)32-13-10-21(17-24(32)34)35-18-19-6-2-1-3-7-19/h1-3,6-10,13,16-17H,4-5,11-12,14-15,18H2
InChIKeyMXTUHIAWCCEWJU-UHFFFAOYSA-N
XLogP4.88
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one (CID 25055557) is 4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(c1)c(C(F)(F)F)nn2CCN1CCCC1.
What is the InChIKey of 4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is MXTUHIAWCCEWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c27-26(28,29)25-22-16-20(8-9-23(22)33(30-25)15-14-31-11-4-5-12-31)32-13-10-21(17-24(32)34)35-18-19-6-2-1-3-7-19/h1-3,6-10,13,16-17H,4-5,11-12,14-15,18H2.
What are the key properties of 4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one?
4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 482.51 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25055557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).