5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one

C23H14F3N7O — CID 58935759

IUPAC5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(Nc4n[nH]c5ccccc45)c4cccnc4n3)cc12
InChIInChI=1S/C23H14F3N7O/c24-23(25,26)15-9-19-14(22(34)33-31-19)8-13(15)18-10-17(12-5-3-7-27-20(12)28-18)29-21-11-4-1-2-6-16(11)30-32-21/h1-10H,(H2,31,33,34)(H2,27,28,29,30,32)
InChIKeyAIRRDPHUGRXWCV-UHFFFAOYSA-N
MW461.41 g/mol
LogP5.11
Rot. Bonds3

About 5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one

5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 58935759) has the molecular formula C23H14F3N7O and a molecular weight of 461.41 g/mol. Its IUPAC name is 5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
PubChem CID58935759
Molecular FormulaC23H14F3N7O
Molecular Weight461.41 g/mol
Exact Mass461.12
IUPAC Name5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(Nc4n[nH]c5ccccc45)c4cccnc4n3)cc12
InChIInChI=1S/C23H14F3N7O/c24-23(25,26)15-9-19-14(22(34)33-31-19)8-13(15)18-10-17(12-5-3-7-27-20(12)28-18)29-21-11-4-1-2-6-16(11)30-32-21/h1-10H,(H2,31,33,34)(H2,27,28,29,30,32)
InChIKeyAIRRDPHUGRXWCV-UHFFFAOYSA-N
XLogP5.11
TPSA115.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.41
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 58935759) is 5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(Nc4n[nH]c5ccccc45)c4cccnc4n3)cc12.
What is the InChIKey of 5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The InChIKey is AIRRDPHUGRXWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N7O/c24-23(25,26)15-9-19-14(22(34)33-31-19)8-13(15)18-10-17(12-5-3-7-27-20(12)28-18)29-21-11-4-1-2-6-16(11)30-32-21/h1-10H,(H2,31,33,34)(H2,27,28,29,30,32).
What are the key properties of 5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?
5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 461.41 g/mol, XLogP of 5.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).