N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide

C24H26FN7O — CID 118020504

IUPACN-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N(C)[C@H](Cn2ccc(-c3ccc(F)cn3)n2)C(C)C)c1
InChIInChI=1S/C24H26FN7O/c1-16(2)23(15-31-12-9-21(29-31)20-7-6-18(25)14-26-20)30(4)24(33)19-13-17(3)5-8-22(19)32-27-10-11-28-32/h5-14,16,23H,15H2,1-4H3/t23-/m1/s1
InChIKeyGPFFQAUSOZQYDP-HSZRJFAPSA-N
MW447.52 g/mol
LogP3.77
Rot. Bonds7

About N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide

N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide (PubChem CID 118020504) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
PubChem CID118020504
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC NameN-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N(C)[C@H](Cn2ccc(-c3ccc(F)cn3)n2)C(C)C)c1
InChIInChI=1S/C24H26FN7O/c1-16(2)23(15-31-12-9-21(29-31)20-7-6-18(25)14-26-20)30(4)24(33)19-13-17(3)5-8-22(19)32-27-10-11-28-32/h5-14,16,23H,15H2,1-4H3/t23-/m1/s1
InChIKeyGPFFQAUSOZQYDP-HSZRJFAPSA-N
XLogP3.77
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide (CID 118020504) is N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide is Cc1ccc(-n2nccn2)c(C(=O)N(C)[C@H](Cn2ccc(-c3ccc(F)cn3)n2)C(C)C)c1.
What is the InChIKey of N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The InChIKey is GPFFQAUSOZQYDP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-16(2)23(15-31-12-9-21(29-31)20-7-6-18(25)14-26-20)30(4)24(33)19-13-17(3)5-8-22(19)32-27-10-11-28-32/h5-14,16,23H,15H2,1-4H3/t23-/m1/s1.
What are the key properties of N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide has a molecular weight of 447.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-3-methylbutan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 118020504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).