N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide

C23H21FN6O — CID 140676713

IUPACN-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide
SMILESCc1cnc(NC(=O)c2ccccc2)nc1[C@@H](C)Cn1cc(-c2ccc(F)cn2)cn1
InChIInChI=1S/C23H21FN6O/c1-15-10-26-23(29-22(31)17-6-4-3-5-7-17)28-21(15)16(2)13-30-14-18(11-27-30)20-9-8-19(24)12-25-20/h3-12,14,16H,13H2,1-2H3,(H,26,28,29,31)/t16-/m0/s1
InChIKeyDMIXUZKVARPJCK-INIZCTEOSA-N
MW416.46 g/mol
LogP4.24
Rot. Bonds6

About N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide

N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide (PubChem CID 140676713) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide
PubChem CID140676713
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC NameN-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide
SMILESCc1cnc(NC(=O)c2ccccc2)nc1[C@@H](C)Cn1cc(-c2ccc(F)cn2)cn1
InChIInChI=1S/C23H21FN6O/c1-15-10-26-23(29-22(31)17-6-4-3-5-7-17)28-21(15)16(2)13-30-14-18(11-27-30)20-9-8-19(24)12-25-20/h3-12,14,16H,13H2,1-2H3,(H,26,28,29,31)/t16-/m0/s1
InChIKeyDMIXUZKVARPJCK-INIZCTEOSA-N
XLogP4.24
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328249
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
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
5-[5-amino-7-(4-fluorophenyl)-2-[(5-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1H-pyridin-2-one
CID 156821390
5-[5-Amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821433
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide?
The IUPAC name of N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide (CID 140676713) is N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide?
The canonical SMILES for N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide is Cc1cnc(NC(=O)c2ccccc2)nc1[C@@H](C)Cn1cc(-c2ccc(F)cn2)cn1.
What is the InChIKey of N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide?
The InChIKey is DMIXUZKVARPJCK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-15-10-26-23(29-22(31)17-6-4-3-5-7-17)28-21(15)16(2)13-30-14-18(11-27-30)20-9-8-19(24)12-25-20/h3-12,14,16H,13H2,1-2H3,(H,26,28,29,31)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide?
N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methylpyrimidin-2-yl]benzamide is sourced from PubChem (CID 140676713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).