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

C23H20F2N6O — CID 140636142

IUPACN-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide
SMILESCCc1nc(NC(=O)c2ccccc2)nc(CCc2ccn(-c3ccc(F)cn3)n2)c1F
InChIInChI=1S/C23H20F2N6O/c1-2-18-21(25)19(28-23(27-18)29-22(32)15-6-4-3-5-7-15)10-9-17-12-13-31(30-17)20-11-8-16(24)14-26-20/h3-8,11-14H,2,9-10H2,1H3,(H,27,28,29,32)
InChIKeyMDEZWHQIVNIMSA-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.94
Rot. Bonds7

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

N-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide (PubChem CID 140636142) has the molecular formula C23H20F2N6O and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide
PubChem CID140636142
Molecular FormulaC23H20F2N6O
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC NameN-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide
SMILESCCc1nc(NC(=O)c2ccccc2)nc(CCc2ccn(-c3ccc(F)cn3)n2)c1F
InChIInChI=1S/C23H20F2N6O/c1-2-18-21(25)19(28-23(27-18)29-22(32)15-6-4-3-5-7-15)10-9-17-12-13-31(30-17)20-11-8-16(24)14-26-20/h3-8,11-14H,2,9-10H2,1H3,(H,27,28,29,32)
InChIKeyMDEZWHQIVNIMSA-UHFFFAOYSA-N
XLogP3.94
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.94
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
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
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
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
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

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
The IUPAC name of N-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide (CID 140636142) is N-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide is CCc1nc(NC(=O)c2ccccc2)nc(CCc2ccn(-c3ccc(F)cn3)n2)c1F.
What is the InChIKey of N-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
The InChIKey is MDEZWHQIVNIMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O/c1-2-18-21(25)19(28-23(27-18)29-22(32)15-6-4-3-5-7-15)10-9-17-12-13-31(30-17)20-11-8-16(24)14-26-20/h3-8,11-14H,2,9-10H2,1H3,(H,27,28,29,32).
What are the key properties of N-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide?
N-[4-ethyl-5-fluoro-6-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide has a molecular weight of 434.45 g/mol, XLogP of 3.94, 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-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethyl]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 140636142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).