6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide

C27H22ClFN4O4 — CID 171549272

IUPAC6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
SMILESCc1cc(C(C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cc4cn(C)nc4cc3F)c(C)c(=O)c2c1
InChIInChI=1S/C27H22ClFN4O4/c1-12-7-16(14(3)36-21-5-6-22(28)31-23(21)27(30)35)26-18(8-12)24(34)13(2)25(37-26)17-9-15-11-33(4)32-20(15)10-19(17)29/h5-11,14H,1-4H3,(H2,30,35)
InChIKeyBVSWXJGIEVOWRF-UHFFFAOYSA-N
MW520.95 g/mol
LogP5.39
Rot. Bonds5

About 6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide

6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide (PubChem CID 171549272) has the molecular formula C27H22ClFN4O4 and a molecular weight of 520.95 g/mol. Its IUPAC name is 6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
PubChem CID171549272
Molecular FormulaC27H22ClFN4O4
Molecular Weight520.95 g/mol
Exact Mass520.13
IUPAC Name6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
SMILESCc1cc(C(C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cc4cn(C)nc4cc3F)c(C)c(=O)c2c1
InChIInChI=1S/C27H22ClFN4O4/c1-12-7-16(14(3)36-21-5-6-22(28)31-23(21)27(30)35)26-18(8-12)24(34)13(2)25(37-26)17-9-15-11-33(4)32-20(15)10-19(17)29/h5-11,14H,1-4H3,(H2,30,35)
InChIKeyBVSWXJGIEVOWRF-UHFFFAOYSA-N
XLogP5.39
TPSA113.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.95
LogP ≤ 55.39
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

2-[[5-chloro-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methoxy]-N-quinolin-3-ylbenzamide
CID 11488657
N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide
CID 73058075
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide
CID 89964210
1-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide
CID 90039308
1-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-5-carboxamide
CID 117832880
2-[6-(Cyclohexylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 147892320
N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 155444066
2-[6-Ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158219274
2-[2-(2-Morpholin-4-yl-2-oxoethyl)-6-phenylmethoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 159527410
2-[2-[2-(4-Benzoylpiperazin-1-yl)-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 160091900
N-[3-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-4-propan-2-yloxy-1-propylpyrazole-3-carboxamide
CID 161510329
Methyl 6-chloro-3-[1-[2-(7-chloro-2-methylindazol-5-yl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylate
CID 166147039

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide (CID 171549272) is 6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide is Cc1cc(C(C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cc4cn(C)nc4cc3F)c(C)c(=O)c2c1.
What is the InChIKey of 6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
The InChIKey is BVSWXJGIEVOWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN4O4/c1-12-7-16(14(3)36-21-5-6-22(28)31-23(21)27(30)35)26-18(8-12)24(34)13(2)25(37-26)17-9-15-11-33(4)32-20(15)10-19(17)29/h5-11,14H,1-4H3,(H2,30,35).
What are the key properties of 6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide has a molecular weight of 520.95 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 171549272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).