7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane

C35H27Br2Cl2FN6O — CID 160725704

IUPAC7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane
SMILESCF.Clc1cccc(-c2[nH]ncc2-c2ccc3ncc(Br)cc3n2)c1.O=C(Cc1ccc2ncc(Br)cc2n1)c1cccc(Cl)c1.[2H]C
InChIInChI=1S/C17H10BrClN4.C16H10BrClN2O.CH3F.CH4/c18-11-7-16-15(20-8-11)5-4-14(22-16)13-9-21-23-17(13)10-2-1-3-12(19)6-10;17-11-7-15-14(19-9-11)5-4-13(20-15)8-16(21)10-2-1-3-12(18)6-10;1-2;/h1-9H,(H,21,23);1-7,9H,8H2;1H3;1H4/i;;;1D
InChIKeyRTRJHKXDEMMDSJ-PBJKEDEQSA-N
MW798.36 g/mol
LogP10.80
Rot. Bonds5

About 7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane

7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane (PubChem CID 160725704) has the molecular formula C35H27Br2Cl2FN6O and a molecular weight of 798.36 g/mol. Its IUPAC name is 7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane.

Molecular Properties

Compound Name7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane
PubChem CID160725704
Molecular FormulaC35H27Br2Cl2FN6O
Molecular Weight798.36 g/mol
Exact Mass795.00
IUPAC Name7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane
SMILESCF.Clc1cccc(-c2[nH]ncc2-c2ccc3ncc(Br)cc3n2)c1.O=C(Cc1ccc2ncc(Br)cc2n1)c1cccc(Cl)c1.[2H]C
InChIInChI=1S/C17H10BrClN4.C16H10BrClN2O.CH3F.CH4/c18-11-7-16-15(20-8-11)5-4-14(22-16)13-9-21-23-17(13)10-2-1-3-12(19)6-10;17-11-7-15-14(19-9-11)5-4-13(20-15)8-16(21)10-2-1-3-12(18)6-10;1-2;/h1-9H,(H,21,23);1-7,9H,8H2;1H3;1H4/i;;;1D
InChIKeyRTRJHKXDEMMDSJ-PBJKEDEQSA-N
XLogP10.80
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.36
LogP ≤ 510.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one
CID 146662112
2-(5-bromo-3-pyridinyl)-6-chloro-3,4-dihydroisoquinolin-1-one;6-chloro-2-[5-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]-3,4-dihydroisoquinolin-1-one
CID 89601387
2-(5-Bromo-3-pyridinyl)-6-chloro-3,4-dihydroisoquinolin-1-one;6-chloro-2-[5-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]-3,4-dihydroisoquinolin-1-one
CID 89601487
7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone
CID 157731928
(Z)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2,4-difluorophenyl)ethanone
CID 157744296
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde
CID 157825394
7-bromo-2-[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 157972836
7-bromo-2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(Z)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 158416513
CID 158629983
CID 158629983
7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 158975275
7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(Z)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 158982428
CID 159115708
CID 159115708

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane?
The IUPAC name of 7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane (CID 160725704) is 7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane.
What is the SMILES notation for 7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane?
The canonical SMILES for 7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane is CF.Clc1cccc(-c2[nH]ncc2-c2ccc3ncc(Br)cc3n2)c1.O=C(Cc1ccc2ncc(Br)cc2n1)c1cccc(Cl)c1.[2H]C.
What is the InChIKey of 7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane?
The InChIKey is RTRJHKXDEMMDSJ-PBJKEDEQSA-N. The full InChI is InChI=1S/C17H10BrClN4.C16H10BrClN2O.CH3F.CH4/c18-11-7-16-15(20-8-11)5-4-14(22-16)13-9-21-23-17(13)10-2-1-3-12(19)6-10;17-11-7-15-14(19-9-11)5-4-13(20-15)8-16(21)10-2-1-3-12(18)6-10;1-2;/h1-9H,(H,21,23);1-7,9H,8H2;1H3;1H4/i;;;1D.
What are the key properties of 7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane?
7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane has a molecular weight of 798.36 g/mol, XLogP of 10.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3-chlorophenyl)ethanone;deuteriomethane;fluoromethane is sourced from PubChem (CID 160725704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).