4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one

C22H13ClF3N5O — CID 175617260

IUPAC4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESNc1c(-c2ccc3ccnn3c2)c(=O)n(-c2ccc(Cl)cc2)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C22H13ClF3N5O/c23-13-2-5-15(6-3-13)31-20-16(7-8-17(29-20)22(24,25)26)19(27)18(21(31)32)12-1-4-14-9-10-28-30(14)11-12/h1-11H,27H2
InChIKeyDKXQMGFHNIBYSI-UHFFFAOYSA-N
MW455.83 g/mol
LogP4.95
Rot. Bonds2

About 4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one

4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 175617260) has the molecular formula C22H13ClF3N5O and a molecular weight of 455.83 g/mol. Its IUPAC name is 4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID175617260
Molecular FormulaC22H13ClF3N5O
Molecular Weight455.83 g/mol
Exact Mass455.08
IUPAC Name4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESNc1c(-c2ccc3ccnn3c2)c(=O)n(-c2ccc(Cl)cc2)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C22H13ClF3N5O/c23-13-2-5-15(6-3-13)31-20-16(7-8-17(29-20)22(24,25)26)19(27)18(21(31)32)12-1-4-14-9-10-28-30(14)11-12/h1-11H,27H2
InChIKeyDKXQMGFHNIBYSI-UHFFFAOYSA-N
XLogP4.95
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.83
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile
CID 175617063
4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one
CID 175617040
ethyl 1-(4-chlorophenyl)-4-hydroxy-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 175617125
4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 170551449
4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one
CID 175617096
methyl 4-amino-1-[4-[(1R)-1-hydroxyethyl]phenyl]-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 176819912
4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 175617101
1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 175503604
ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 166095197
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
4-(methylamino)-3-nitro-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 175490444
5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 164562813

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 175617260) is 4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one is Nc1c(-c2ccc3ccnn3c2)c(=O)n(-c2ccc(Cl)cc2)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is DKXQMGFHNIBYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF3N5O/c23-13-2-5-15(6-3-13)31-20-16(7-8-17(29-20)22(24,25)26)19(27)18(21(31)32)12-1-4-14-9-10-28-30(14)11-12/h1-11H,27H2.
What are the key properties of 4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 455.83 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 175617260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).