N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide

C26H27FN6O — CID 172532524

IUPACN-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cc(C)c2c(N(C(=O)c3ccc(-c4cn(C)nn4)cc3F)[C@@H]3CCCNC3)nccc2c1
InChIInChI=1S/C26H27FN6O/c1-16-11-17(2)24-19(12-16)8-10-29-25(24)33(20-5-4-9-28-14-20)26(34)21-7-6-18(13-22(21)27)23-15-32(3)31-30-23/h6-8,10-13,15,20,28H,4-5,9,14H2,1-3H3/t20-/m1/s1
InChIKeyFTGDLJNKZBLNHX-HXUWFJFHSA-N
MW458.54 g/mol
LogP4.19
Rot. Bonds4

About N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide

N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 172532524) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID172532524
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC NameN-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cc(C)c2c(N(C(=O)c3ccc(-c4cn(C)nn4)cc3F)[C@@H]3CCCNC3)nccc2c1
InChIInChI=1S/C26H27FN6O/c1-16-11-17(2)24-19(12-16)8-10-29-25(24)33(20-5-4-9-28-14-20)26(34)21-7-6-18(13-22(21)27)23-15-32(3)31-30-23/h6-8,10-13,15,20,28H,4-5,9,14H2,1-3H3/t20-/m1/s1
InChIKeyFTGDLJNKZBLNHX-HXUWFJFHSA-N
XLogP4.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide with MolForge

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Related Compounds

2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533003
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[1-(trideuteriomethyl)triazol-4-yl]benzamide
CID 172532539
N-(6-fluoro-8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172531967
N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533107
N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 172531932
N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide
CID 172533367
2-fluoro-N-[6-(4-methylsulfonylphenyl)isoquinolin-1-yl]-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533507
N-(6-chloro-8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-piperidin-3-ylbenzamide
CID 172531923
2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]-N-(3-prop-1-en-2-ylthieno[3,2-c]pyridin-4-yl)benzamide
CID 172533451
2-fluoro-N-(6-fluoro-5-methoxyisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532125
N-(6-benzylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533643
N-(2-bromothieno[3,2-c]pyridin-4-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533626

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide (CID 172532524) is N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cc(C)c2c(N(C(=O)c3ccc(-c4cn(C)nn4)cc3F)[C@@H]3CCCNC3)nccc2c1.
What is the InChIKey of N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is FTGDLJNKZBLNHX-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H27FN6O/c1-16-11-17(2)24-19(12-16)8-10-29-25(24)33(20-5-4-9-28-14-20)26(34)21-7-6-18(13-22(21)27)23-15-32(3)31-30-23/h6-8,10-13,15,20,28H,4-5,9,14H2,1-3H3/t20-/m1/s1.
What are the key properties of N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide?
N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 458.54 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 172532524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).