2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol

C23H21FN4O — CID 175070887

IUPAC2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccccc43)nc2)c1
InChIInChI=1S/C23H21FN4O/c1-23(2,29)16-9-10-19(24)18(11-16)15-12-25-22(26-13-15)28-20-6-4-3-5-17(20)21(27-28)14-7-8-14/h3-6,9-14,29H,7-8H2,1-2H3
InChIKeyRXZQNYSXNQIHEQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.73
Rot. Bonds4

About 2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol

2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol (PubChem CID 175070887) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol
PubChem CID175070887
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccccc43)nc2)c1
InChIInChI=1S/C23H21FN4O/c1-23(2,29)16-9-10-19(24)18(11-16)15-12-25-22(26-13-15)28-20-6-4-3-5-17(20)21(27-28)14-7-8-14/h3-6,9-14,29H,7-8H2,1-2H3
InChIKeyRXZQNYSXNQIHEQ-UHFFFAOYSA-N
XLogP4.73
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol
CID 135224486
4-[2-Ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol
CID 142401384
3,5-Difluoro-4-[2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol
CID 142401400
2-[4-[[(8,9-Dimethylpyrazolo[3,4-h]quinazolin-4-yl)amino]methyl]phenyl]propan-2-ol
CID 156013700
2-[4-[Dideuterio-[(8,9-dimethylpyrazolo[3,4-h]quinazolin-4-yl)amino]methyl]phenyl]propan-2-ol
CID 156014933
(1S)-1-(4-fluorophenyl)-1-[2-[4-(6-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032875
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(4-methylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032893
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032898
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032899
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032900
(R)-cyclopropyl-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanol
CID 118032937
(S)-cyclopropyl-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanol
CID 118032938

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol (CID 175070887) is 2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol is CC(C)(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccccc43)nc2)c1.
What is the InChIKey of 2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol?
The InChIKey is RXZQNYSXNQIHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-23(2,29)16-9-10-19(24)18(11-16)15-12-25-22(26-13-15)28-20-6-4-3-5-17(20)21(27-28)14-7-8-14/h3-6,9-14,29H,7-8H2,1-2H3.
What are the key properties of 2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol?
2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol has a molecular weight of 388.45 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol is sourced from PubChem (CID 175070887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).