2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol

C22H20FN5O — CID 69350240

IUPAC2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ncc(C(C)(C)O)cn3)c2)n1
InChIInChI=1S/C22H20FN5O/c1-13-5-4-6-19(27-13)20-17(12-26-28-20)14-7-8-18(23)16(9-14)21-24-10-15(11-25-21)22(2,3)29/h4-12,29H,1-3H3,(H,26,28)
InChIKeyYXAUPKOMPKJJJQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.27
Rot. Bonds4

About 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol

2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol (PubChem CID 69350240) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol
PubChem CID69350240
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ncc(C(C)(C)O)cn3)c2)n1
InChIInChI=1S/C22H20FN5O/c1-13-5-4-6-19(27-13)20-17(12-26-28-20)14-7-8-18(23)16(9-14)21-24-10-15(11-25-21)22(2,3)29/h4-12,29H,1-3H3,(H,26,28)
InChIKeyYXAUPKOMPKJJJQ-UHFFFAOYSA-N
XLogP4.27
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol with MolForge

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Related Compounds

2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine
CID 69351052
2-[4-[4-fluoro-3-(4-methylsulfonylphenyl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine
CID 11553254
2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol
CID 175442847
2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl methanesulfonate
CID 86616631
2-methyl-6-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine
CID 58612140
3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole
CID 69351411
1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole
CID 11392508
(2S)-2-amino-3-cyano-N-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrazol-1-yl]ethyl]propanamide
CID 163250588
methyl (4R)-4-amino-5-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrazol-1-yl]ethylamino]-5-oxopentanoate
CID 163250641
[(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate
CID 167366973
(4S)-4-amino-5-[2-[[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrazol-1-yl]-1-hydroxyethyl]-methylamino]ethyl-methylamino]-5-oxopentanoic acid
CID 163250661
N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine
CID 167366534

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol (CID 69350240) is 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ncc(C(C)(C)O)cn3)c2)n1.
What is the InChIKey of 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol?
The InChIKey is YXAUPKOMPKJJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13-5-4-6-19(27-13)20-17(12-26-28-20)14-7-8-18(23)16(9-14)21-24-10-15(11-25-21)22(2,3)29/h4-12,29H,1-3H3,(H,26,28).
What are the key properties of 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol?
2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol has a molecular weight of 389.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 69350240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).