N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide

C24H23FN6O — CID 140636141

IUPACN-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide
SMILESCCc1nc(NC(=O)c2ccccc2)nc(CCc2ccn(-c3cccc(C)n3)n2)c1F
InChIInChI=1S/C24H23FN6O/c1-3-19-22(25)20(28-24(27-19)29-23(32)17-9-5-4-6-10-17)13-12-18-14-15-31(30-18)21-11-7-8-16(2)26-21/h4-11,14-15H,3,12-13H2,1-2H3,(H,27,28,29,32)
InChIKeyJCESPQUZEWNRMG-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.10
Rot. Bonds7

About N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide

N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide (PubChem CID 140636141) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide
PubChem CID140636141
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide
SMILESCCc1nc(NC(=O)c2ccccc2)nc(CCc2ccn(-c3cccc(C)n3)n2)c1F
InChIInChI=1S/C24H23FN6O/c1-3-19-22(25)20(28-24(27-19)29-23(32)17-9-5-4-6-10-17)13-12-18-14-15-31(30-18)21-11-7-8-16(2)26-21/h4-11,14-15H,3,12-13H2,1-2H3,(H,27,28,29,32)
InChIKeyJCESPQUZEWNRMG-UHFFFAOYSA-N
XLogP4.10
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
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
6-cyclopropyl-N-[1-(2-phenylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328634
N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328990
6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330913
4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 137348547
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
The IUPAC name of N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide (CID 140636141) is N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide is CCc1nc(NC(=O)c2ccccc2)nc(CCc2ccn(-c3cccc(C)n3)n2)c1F.
What is the InChIKey of N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
The InChIKey is JCESPQUZEWNRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-3-19-22(25)20(28-24(27-19)29-23(32)17-9-5-4-6-10-17)13-12-18-14-15-31(30-18)21-11-7-8-16(2)26-21/h4-11,14-15H,3,12-13H2,1-2H3,(H,27,28,29,32).
What are the key properties of N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide has a molecular weight of 430.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-5-fluoro-6-[2-[1-(6-methyl-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 140636141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).