1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol

C22H27N5O2 — CID 90177827

IUPAC1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol
SMILESCCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(C)O)nc1
InChIInChI=1S/C22H27N5O2/c1-5-15-6-7-20(24-9-15)17-8-16(17)12-29-22-18(10-23-14(3)25-22)19-11-27(4)26-21(19)13(2)28/h6-7,9-11,13,16-17,28H,5,8,12H2,1-4H3/t13?,16-,17+/m1/s1
InChIKeyBIABLZQEFRAOMM-IIZJFRANSA-N
MW393.49 g/mol
LogP3.38
Rot. Bonds7

About 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol

1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol (PubChem CID 90177827) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol
PubChem CID90177827
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol
SMILESCCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(C)O)nc1
InChIInChI=1S/C22H27N5O2/c1-5-15-6-7-20(24-9-15)17-8-16(17)12-29-22-18(10-23-14(3)25-22)19-11-27(4)26-21(19)13(2)28/h6-7,9-11,13,16-17,28H,5,8,12H2,1-4H3/t13?,16-,17+/m1/s1
InChIKeyBIABLZQEFRAOMM-IIZJFRANSA-N
XLogP3.38
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-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 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol?
The IUPAC name of 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol (CID 90177827) is 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol?
The canonical SMILES for 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol is CCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(C)O)nc1.
What is the InChIKey of 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol?
The InChIKey is BIABLZQEFRAOMM-IIZJFRANSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-5-15-6-7-20(24-9-15)17-8-16(17)12-29-22-18(10-23-14(3)25-22)19-11-27(4)26-21(19)13(2)28/h6-7,9-11,13,16-17,28H,5,8,12H2,1-4H3/t13?,16-,17+/m1/s1.
What are the key properties of 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol?
1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol has a molecular weight of 393.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[(1S,2S)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol is sourced from PubChem (CID 90177827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).