N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide

C24H23FN6O — CID 72700703

IUPACN-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide
SMILESCCN(C(=O)c1ccccc1-c1ncccn1)[C@@H](C)Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C24H23FN6O/c1-3-31(24(32)20-8-5-4-7-19(20)23-26-12-6-13-27-23)17(2)16-30-14-11-22(29-30)21-10-9-18(25)15-28-21/h4-15,17H,3,16H2,1-2H3/t17-/m0/s1
InChIKeyMBFWVOSMVJQAOR-KRWDZBQOSA-N
MW430.49 g/mol
LogP4.09
Rot. Bonds7

About N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide

N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide (PubChem CID 72700703) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide
PubChem CID72700703
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide
SMILESCCN(C(=O)c1ccccc1-c1ncccn1)[C@@H](C)Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C24H23FN6O/c1-3-31(24(32)20-8-5-4-7-19(20)23-26-12-6-13-27-23)17(2)16-30-14-11-22(29-30)21-10-9-18(25)15-28-21/h4-15,17H,3,16H2,1-2H3/t17-/m0/s1
InChIKeyMBFWVOSMVJQAOR-KRWDZBQOSA-N
XLogP4.09
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide (CID 72700703) is N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide is CCN(C(=O)c1ccccc1-c1ncccn1)[C@@H](C)Cn1ccc(-c2ccc(F)cn2)n1.
What is the InChIKey of N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
The InChIKey is MBFWVOSMVJQAOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-3-31(24(32)20-8-5-4-7-19(20)23-26-12-6-13-27-23)17(2)16-30-14-11-22(29-30)21-10-9-18(25)15-28-21/h4-15,17H,3,16H2,1-2H3/t17-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide has a molecular weight of 430.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 72700703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).