4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one

C26H20F5N5O2 — CID 177182236

IUPAC4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
SMILESCC(C)n1cc2cc(-c3c(N)c4ncc(C(F)(F)F)cc4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1
InChIInChI=1S/C26H20F5N5O2/c1-13(2)35-12-15-9-14(3-8-19(15)34-35)21-22(32)23-20(10-16(11-33-23)26(29,30)31)36(24(21)37)17-4-6-18(7-5-17)38-25(27)28/h3-13,25H,32H2,1-2H3
InChIKeyDCJSZUJRTODBEF-UHFFFAOYSA-N
MW529.47 g/mol
LogP6.19
Rot. Bonds5

About 4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one

4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one (PubChem CID 177182236) has the molecular formula C26H20F5N5O2 and a molecular weight of 529.47 g/mol. Its IUPAC name is 4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
PubChem CID177182236
Molecular FormulaC26H20F5N5O2
Molecular Weight529.47 g/mol
Exact Mass529.15
IUPAC Name4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
SMILESCC(C)n1cc2cc(-c3c(N)c4ncc(C(F)(F)F)cc4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1
InChIInChI=1S/C26H20F5N5O2/c1-13(2)35-12-15-9-14(3-8-19(15)34-35)21-22(32)23-20(10-16(11-33-23)26(29,30)31)36(24(21)37)17-4-6-18(7-5-17)38-25(27)28/h3-13,25H,32H2,1-2H3
InChIKeyDCJSZUJRTODBEF-UHFFFAOYSA-N
XLogP6.19
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.47
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182182
1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182194
4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182169
4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182306
4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one
CID 177182274
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,8-naphthyridin-2-one
CID 155732401
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-7-one
CID 156805234
4-[4-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 166273929
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525360
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 156805218
4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-8H-pteridin-7-one
CID 175801000
3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one
CID 155343664

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The IUPAC name of 4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one (CID 177182236) is 4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The canonical SMILES for 4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one is CC(C)n1cc2cc(-c3c(N)c4ncc(C(F)(F)F)cc4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1.
What is the InChIKey of 4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The InChIKey is DCJSZUJRTODBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F5N5O2/c1-13(2)35-12-15-9-14(3-8-19(15)34-35)21-22(32)23-20(10-16(11-33-23)26(29,30)31)36(24(21)37)17-4-6-18(7-5-17)38-25(27)28/h3-13,25H,32H2,1-2H3.
What are the key properties of 4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one has a molecular weight of 529.47 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 177182236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).