N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide

C23H21FN6O — CID 140636137

IUPACN-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide
SMILESCCc1cnc(NC(=O)c2ccccc2)nc1CCc1ccn(-c2ccc(F)cn2)n1
InChIInChI=1S/C23H21FN6O/c1-2-16-14-26-23(28-22(31)17-6-4-3-5-7-17)27-20(16)10-9-19-12-13-30(29-19)21-11-8-18(24)15-25-21/h3-8,11-15H,2,9-10H2,1H3,(H,26,27,28,31)
InChIKeyRAALLYSOQQLBAU-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.80
Rot. Bonds7

About N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide

N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide (PubChem CID 140636137) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide
PubChem CID140636137
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC NameN-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide
SMILESCCc1cnc(NC(=O)c2ccccc2)nc1CCc1ccn(-c2ccc(F)cn2)n1
InChIInChI=1S/C23H21FN6O/c1-2-16-14-26-23(28-22(31)17-6-4-3-5-7-17)27-20(16)10-9-19-12-13-30(29-19)21-11-8-18(24)15-25-21/h3-8,11-15H,2,9-10H2,1H3,(H,26,27,28,31)
InChIKeyRAALLYSOQQLBAU-UHFFFAOYSA-N
XLogP3.80
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide 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

Selitrectinib
CID 129103609
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Pluripotin
CID 12003241
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 57340689
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
4-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]benzamide
CID 126480574
Sdccggsk-0000274.P001
CID 10272700
Takeda103A
CID 11155477
B-Raf IN 1
CID 24884503
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328249

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
The IUPAC name of N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide (CID 140636137) is N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide is CCc1cnc(NC(=O)c2ccccc2)nc1CCc1ccn(-c2ccc(F)cn2)n1.
What is the InChIKey of N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
The InChIKey is RAALLYSOQQLBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-2-16-14-26-23(28-22(31)17-6-4-3-5-7-17)27-20(16)10-9-19-12-13-30(29-19)21-11-8-18(24)15-25-21/h3-8,11-15H,2,9-10H2,1H3,(H,26,27,28,31).
What are the key properties of N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-4-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 140636137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).