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

C24H23FN6O — CID 57389723

IUPACN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
SMILESCCN(CCN1C=CC(=N1)C2=NC=C(C=C2)F)C(=O)C3=C(C=CC(=C3)C)C4=NC=CC=N4
InChIInChI=1S/C24H23FN6O/c1-3-30(13-14-31-12-9-22(29-31)21-8-6-18(25)16-28-21)24(32)20-15-17(2)5-7-19(20)23-26-10-4-11-27-23/h4-12,15-16H,3,13-14H2,1-2H3
InChIKeyUWSKCHSHSADTPE-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.70
Rot. Bonds7

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

N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide (PubChem CID 57389723) has the molecular formula C24H23FN6O and a molecular weight of 430.50 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
PubChem CID57389723
Molecular FormulaC24H23FN6O
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
SMILESCCN(CCN1C=CC(=N1)C2=NC=C(C=C2)F)C(=O)C3=C(C=CC(=C3)C)C4=NC=CC=N4
InChIInChI=1S/C24H23FN6O/c1-3-30(13-14-31-12-9-22(29-31)21-8-6-18(25)16-28-21)24(32)20-15-17(2)5-7-19(20)23-26-10-4-11-27-23/h4-12,15-16H,3,13-14H2,1-2H3
InChIKeyUWSKCHSHSADTPE-UHFFFAOYSA-N
XLogP2.70
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity603

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cirtuvivint
CID 132056570
Gsk 343
CID 71268957
Unc1999
CID 72551585
4-Ethyl-N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-3-(pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CID 71550931
[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471483
(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
CID 153572417
Takeda103A
CID 11155477
n-[3-(3-{4-[(Dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 24884503
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
CID 54596764
3-[4-(2-aminopyrimidin-5-yl)triazol-1-yl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 71455364

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide (CID 57389723) is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide is CCN(CCN1C=CC(=N1)C2=NC=C(C=C2)F)C(=O)C3=C(C=CC(=C3)C)C4=NC=CC=N4.
What is the InChIKey of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The InChIKey is UWSKCHSHSADTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-3-30(13-14-31-12-9-22(29-31)21-8-6-18(25)16-28-21)24(32)20-15-17(2)5-7-19(20)23-26-10-4-11-27-23/h4-12,15-16H,3,13-14H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide has a molecular weight of 430.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 57389723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).