3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide

C19H20FN7O2 — CID 169412673

IUPAC3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cc(F)cc(-c3nccc(N4CCC(O)CC4)n3)c2)nn1
InChIInChI=1S/C19H20FN7O2/c1-26-11-16(24-25-26)22-19(29)13-8-12(9-14(20)10-13)18-21-5-2-17(23-18)27-6-3-15(28)4-7-27/h2,5,8-11,15,28H,3-4,6-7H2,1H3,(H,22,29)
InChIKeyHGJLSHRUYLHDKX-UHFFFAOYSA-N
MW397.41 g/mol
LogP1.62
Rot. Bonds4

About 3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide

3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide (PubChem CID 169412673) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide
PubChem CID169412673
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cc(F)cc(-c3nccc(N4CCC(O)CC4)n3)c2)nn1
InChIInChI=1S/C19H20FN7O2/c1-26-11-16(24-25-26)22-19(29)13-8-12(9-14(20)10-13)18-21-5-2-17(23-18)27-6-3-15(28)4-7-27/h2,5,8-11,15,28H,3-4,6-7H2,1H3,(H,22,29)
InChIKeyHGJLSHRUYLHDKX-UHFFFAOYSA-N
XLogP1.62
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide
CID 169416197
4-fluoro-N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]benzamide
CID 175939067
N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]-4-methylbenzamide
CID 175939108
1-[2-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 122559185
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53078012
N-(1,3-benzodioxol-5-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 46331071
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53078019
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
CID 45199438
4-[3-fluoro-5-[(1-propan-2-yltriazol-4-yl)carbamoyl]phenyl]-5-methylthiophene-2-carboxylic acid
CID 170510851
2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138586731
3-chloro-N-(1-methyltriazol-4-yl)benzamide
CID 112535369
2-[4,4-bis(trideuteriomethyl)piperazin-4-ium-1-yl]-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138589569

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide?
The IUPAC name of 3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide (CID 169412673) is 3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide?
The canonical SMILES for 3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide is Cn1cc(NC(=O)c2cc(F)cc(-c3nccc(N4CCC(O)CC4)n3)c2)nn1.
What is the InChIKey of 3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide?
The InChIKey is HGJLSHRUYLHDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O2/c1-26-11-16(24-25-26)22-19(29)13-8-12(9-14(20)10-13)18-21-5-2-17(23-18)27-6-3-15(28)4-7-27/h2,5,8-11,15,28H,3-4,6-7H2,1H3,(H,22,29).
What are the key properties of 3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide?
3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide has a molecular weight of 397.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-N-(1-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 169412673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).