2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol

C25H32N6O2 — CID 92601869

IUPAC2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
SMILESCOc1ccccc1CN1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO
InChIInChI=1S/C25H32N6O2/c1-33-23-9-3-2-7-19(23)18-30-14-6-8-22(30)24-20(17-27-31(24)15-16-32)21-10-11-26-25(28-21)29-12-4-5-13-29/h2-3,7,9-11,17,22,32H,4-6,8,12-16,18H2,1H3/t22-/m1/s1
InChIKeyCMUNYIFQEUOXCX-JOCHJYFZSA-N
MW448.57 g/mol
LogP3.28
Rot. Bonds8

About 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol

2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol (PubChem CID 92601869) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
PubChem CID92601869
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
SMILESCOc1ccccc1CN1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO
InChIInChI=1S/C25H32N6O2/c1-33-23-9-3-2-7-19(23)18-30-14-6-8-22(30)24-20(17-27-31(24)15-16-32)21-10-11-26-25(28-21)29-12-4-5-13-29/h2-3,7,9-11,17,22,32H,4-6,8,12-16,18H2,1H3/t22-/m1/s1
InChIKeyCMUNYIFQEUOXCX-JOCHJYFZSA-N
XLogP3.28
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol 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

2-[5-[(2S)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 124943122
2-hydroxy-1-[(2S)-2-[1-(2-hydroxyethyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92577895
2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 92577902
2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 175662113
2-(2-methoxyphenyl)-1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 92566763
2-(4-methoxyphenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92565994
2-(3-methylphenyl)-1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92560656
2-(3-methylphenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92560655
4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
CID 44614492
[(2S)-2-[1-(2-hydroxyethyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 124910301
4-[5-[(3R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 92556274
(3-methoxyphenyl)-[(2R)-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 92599438

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol (CID 92601869) is 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol is COc1ccccc1CN1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO.
What is the InChIKey of 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The InChIKey is CMUNYIFQEUOXCX-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-33-23-9-3-2-7-19(23)18-30-14-6-8-22(30)24-20(17-27-31(24)15-16-32)21-10-11-26-25(28-21)29-12-4-5-13-29/h2-3,7,9-11,17,22,32H,4-6,8,12-16,18H2,1H3/t22-/m1/s1.
What are the key properties of 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol has a molecular weight of 448.57 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 92601869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).