7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one

C23H18ClFN6O — CID 176913623

IUPAC7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one
SMILESCNc1c(-c2ccc3nn(C)cc3c2)c(=O)n(-c2cccnc2C)c2nc(Cl)c(F)cc12
InChIInChI=1S/C23H18ClFN6O/c1-12-18(5-4-8-27-12)31-22-15(10-16(25)21(24)28-22)20(26-2)19(23(31)32)13-6-7-17-14(9-13)11-30(3)29-17/h4-11,26H,1-3H3
InChIKeyKYWMCDJQWSAESO-UHFFFAOYSA-N
MW448.89 g/mol
LogP4.48
Rot. Bonds3

About 7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one

7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one (PubChem CID 176913623) has the molecular formula C23H18ClFN6O and a molecular weight of 448.89 g/mol. Its IUPAC name is 7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one
PubChem CID176913623
Molecular FormulaC23H18ClFN6O
Molecular Weight448.89 g/mol
Exact Mass448.12
IUPAC Name7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one
SMILESCNc1c(-c2ccc3nn(C)cc3c2)c(=O)n(-c2cccnc2C)c2nc(Cl)c(F)cc12
InChIInChI=1S/C23H18ClFN6O/c1-12-18(5-4-8-27-12)31-22-15(10-16(25)21(24)28-22)20(26-2)19(23(31)32)13-6-7-17-14(9-13)11-30(3)29-17/h4-11,26H,1-3H3
InChIKeyKYWMCDJQWSAESO-UHFFFAOYSA-N
XLogP4.48
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-6-fluoro-1-(4-methoxyphenyl)-4-(methylamino)-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one
CID 176913568
3-bromo-7-chloro-6-fluoro-4-(methylamino)-1-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 176913565
7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525248
6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one
CID 54092688
2-methyl-N-[4-(methylamino)-2-oxo-1-pyridin-3-yl-7-(trifluoromethyl)-1,8-naphthyridin-3-yl]indazole-5-carboxamide
CID 170551431
6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615779
2-chloro-7-[1-methyl-3-(2-methyl-3-pyridinyl)pyrazol-4-yl]-1,5-naphthyridine
CID 90289025
4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-methylsulfanyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155727100
7,7-dideuterio-6-[[4-(2,6-dimethylindazol-5-yl)-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760594
5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione
CID 178059032
6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615926
3,6-dimethyl-2-(2-methylindazol-5-yl)-8-[1-[[2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170671094

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one (CID 176913623) is 7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one is CNc1c(-c2ccc3nn(C)cc3c2)c(=O)n(-c2cccnc2C)c2nc(Cl)c(F)cc12.
What is the InChIKey of 7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one?
The InChIKey is KYWMCDJQWSAESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN6O/c1-12-18(5-4-8-27-12)31-22-15(10-16(25)21(24)28-22)20(26-2)19(23(31)32)13-6-7-17-14(9-13)11-30(3)29-17/h4-11,26H,1-3H3.
What are the key properties of 7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one?
7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one has a molecular weight of 448.89 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 176913623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).