(2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C22H19ClF3N5O2 — CID 154636074

IUPAC(2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOc1cccc(-c2c[nH]c(-c3cnn(C[C@@H](C)O)c3C(F)(F)F)c2-c2ccncn2)c1Cl
InChIInChI=1S/C22H19ClF3N5O2/c1-12(32)10-31-21(22(24,25)26)15(9-30-31)20-18(16-6-7-27-11-29-16)14(8-28-20)13-4-3-5-17(33-2)19(13)23/h3-9,11-12,28,32H,10H2,1-2H3/t12-/m1/s1
InChIKeyXYGYIADILXELSG-GFCCVEGCSA-N
MW477.87 g/mol
LogP5.06
Rot. Bonds6

About (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

(2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 154636074) has the molecular formula C22H19ClF3N5O2 and a molecular weight of 477.87 g/mol. Its IUPAC name is (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID154636074
Molecular FormulaC22H19ClF3N5O2
Molecular Weight477.87 g/mol
Exact Mass477.12
IUPAC Name(2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOc1cccc(-c2c[nH]c(-c3cnn(C[C@@H](C)O)c3C(F)(F)F)c2-c2ccncn2)c1Cl
InChIInChI=1S/C22H19ClF3N5O2/c1-12(32)10-31-21(22(24,25)26)15(9-30-31)20-18(16-6-7-27-11-29-16)14(8-28-20)13-4-3-5-17(33-2)19(13)23/h3-9,11-12,28,32H,10H2,1-2H3/t12-/m1/s1
InChIKeyXYGYIADILXELSG-GFCCVEGCSA-N
XLogP5.06
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.87
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(4-{3-[(1S)-1-(2-Chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-3,5-dimethyl-1H-pyrazol-1-yl)propane-1,2-diol
CID 54673078
1-[4-[3-[(1S)-1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-ethylpyrazol-1-yl]-2-methylpropan-2-ol
CID 54673079
1-[4-[3-[(1S)-1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-ethylpyrazol-1-yl]-2-methylpropan-2-ol
CID 54673080
(2S)-3-[4-[3-[(1S)-1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methylpyrazol-1-yl]propane-1,2-diol
CID 54673081
1-[4-[3-[(1S)-1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol
CID 54673247
1-[4-[3-[(1S)-1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol
CID 54673248
1-(4-{3-[(1S)-1-(2-Chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 54673249
trans-4-(4-{3-[(1S)-1-(2-Chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-3,5-dimethyl-1H-pyrazol-1-yl)cyclohexanol
CID 54673250
3-[(1S)-1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 54673251
3-[(1S)-1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-5-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 54673252
3-[(1S)-1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-5-(1,3-dimethylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 54673418
4-[4-[3-[(1R)-1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methylpyrazol-1-yl]cyclohexan-1-ol
CID 54673420

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 154636074) is (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is COc1cccc(-c2c[nH]c(-c3cnn(C[C@@H](C)O)c3C(F)(F)F)c2-c2ccncn2)c1Cl.
What is the InChIKey of (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is XYGYIADILXELSG-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H19ClF3N5O2/c1-12(32)10-31-21(22(24,25)26)15(9-30-31)20-18(16-6-7-27-11-29-16)14(8-28-20)13-4-3-5-17(33-2)19(13)23/h3-9,11-12,28,32H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
(2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 477.87 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[4-(2-chloro-3-methoxyphenyl)-3-pyrimidin-4-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 154636074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).