2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol

C21H23F2N5O2 — CID 90182152

IUPAC2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol
SMILESCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(O)C(F)F)nc1
InChIInChI=1S/C21H23F2N5O2/c1-11-4-5-17(25-7-11)14-6-13(14)10-30-21-15(8-24-12(2)26-21)16-9-28(3)27-18(16)19(29)20(22)23/h4-5,7-9,13-14,19-20,29H,6,10H2,1-3H3/t13-,14+,19?/m1/s1
InChIKeyZCKPNYNGXVIFEG-YCENCERGSA-N
MW415.44 g/mol
LogP3.37
Rot. Bonds7

About 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol

2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol (PubChem CID 90182152) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.44 g/mol. Its IUPAC name is 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol
PubChem CID90182152
Molecular FormulaC21H23F2N5O2
Molecular Weight415.44 g/mol
Exact Mass415.18
IUPAC Name2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol
SMILESCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(O)C(F)F)nc1
InChIInChI=1S/C21H23F2N5O2/c1-11-4-5-17(25-7-11)14-6-13(14)10-30-21-15(8-24-12(2)26-21)16-9-28(3)27-18(16)19(29)20(22)23/h4-5,7-9,13-14,19-20,29H,6,10H2,1-3H3/t13-,14+,19?/m1/s1
InChIKeyZCKPNYNGXVIFEG-YCENCERGSA-N
XLogP3.37
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
The IUPAC name of 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol (CID 90182152) is 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol.
What is the SMILES notation for 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
The canonical SMILES for 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol is Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(O)C(F)F)nc1.
What is the InChIKey of 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
The InChIKey is ZCKPNYNGXVIFEG-YCENCERGSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c1-11-4-5-17(25-7-11)14-6-13(14)10-30-21-15(8-24-12(2)26-21)16-9-28(3)27-18(16)19(29)20(22)23/h4-5,7-9,13-14,19-20,29H,6,10H2,1-3H3/t13-,14+,19?/m1/s1.
What are the key properties of 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol has a molecular weight of 415.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol is sourced from PubChem (CID 90182152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).