(3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one

C28H24N4O — CID 162152490

IUPAC(3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one
SMILESC[C@H](CC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1)c1ccccc1
InChIInChI=1S/C28H24N4O/c1-19(20-6-4-3-5-7-20)14-27(33)26-13-12-23-15-29-17-25(28(23)31-26)22-10-8-21(9-11-22)24-16-30-32(2)18-24/h3-13,15-19H,14H2,1-2H3/t19-/m1/s1
InChIKeyZLJYEIHNRHVAHX-LJQANCHMSA-N
MW432.53 g/mol
LogP6.07
Rot. Bonds6

About (3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one

(3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one (PubChem CID 162152490) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is (3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name(3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one
PubChem CID162152490
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name(3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one
SMILESC[C@H](CC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1)c1ccccc1
InChIInChI=1S/C28H24N4O/c1-19(20-6-4-3-5-7-20)14-27(33)26-13-12-23-15-29-17-25(28(23)31-26)22-10-8-21(9-11-22)24-16-30-32(2)18-24/h3-13,15-19H,14H2,1-2H3/t19-/m1/s1
InChIKeyZLJYEIHNRHVAHX-LJQANCHMSA-N
XLogP6.07
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
CID 118660717
2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
CID 127044488
N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 95617225
5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one
CID 161426193
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 24730432
1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
CID 172585301
4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid
CID 110447349
2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 139416919
2-[[(2S)-2-(4-chlorophenyl)propyl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 175631857
2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]benzenesulfonamide
CID 118665723
1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid
CID 68748254

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one?
The IUPAC name of (3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one (CID 162152490) is (3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one.
What is the SMILES notation for (3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one?
The canonical SMILES for (3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one is C[C@H](CC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1)c1ccccc1.
What is the InChIKey of (3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one?
The InChIKey is ZLJYEIHNRHVAHX-LJQANCHMSA-N. The full InChI is InChI=1S/C28H24N4O/c1-19(20-6-4-3-5-7-20)14-27(33)26-13-12-23-15-29-17-25(28(23)31-26)22-10-8-21(9-11-22)24-16-30-32(2)18-24/h3-13,15-19H,14H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one?
(3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one has a molecular weight of 432.53 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 162152490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).