(1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol

C18H24N2O2 — CID 11335596

IUPAC(1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1cncc(-c2cncc([C@@H](O)C(C)C)c2)c1
InChIInChI=1S/C18H24N2O2/c1-11(2)17(21)15-5-13(7-19-9-15)14-6-16(10-20-8-14)18(22)12(3)4/h5-12,17-18,21-22H,1-4H3/t17-,18-/m0/s1
InChIKeyIRLWKEYFILHTBX-ROUUACIJSA-N
MW300.40 g/mol
LogP3.52
Rot. Bonds5

About (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol

(1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol (PubChem CID 11335596) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol
PubChem CID11335596
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1cncc(-c2cncc([C@@H](O)C(C)C)c2)c1
InChIInChI=1S/C18H24N2O2/c1-11(2)17(21)15-5-13(7-19-9-15)14-6-16(10-20-8-14)18(22)12(3)4/h5-12,17-18,21-22H,1-4H3/t17-,18-/m0/s1
InChIKeyIRLWKEYFILHTBX-ROUUACIJSA-N
XLogP3.52
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-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

(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol
CID 131014604
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine
CID 59333399
1-[5-(4-methylphenyl)-3-pyridinyl]ethanamine
CID 82542177
(1S)-1-(5-phenyl-3-pyridinyl)ethanamine
CID 96702221
1-[4-[4-(1-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-1-ol
CID 154573668
(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
CID 55291623
(1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol
CID 10130500
3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine
CID 59333396
3-(4-methoxyphenyl)-5-propan-2-ylpyridine
CID 59144720
3-(1-methylpyrazol-3-yl)-5-propan-2-ylpyridine
CID 139423359
(1R)-2-methyl-1-(5,6,7,8-tetrahydroquinolin-3-yl)propan-1-ol
CID 124843658

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol (CID 11335596) is (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol is CC(C)[C@H](O)c1cncc(-c2cncc([C@@H](O)C(C)C)c2)c1.
What is the InChIKey of (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol?
The InChIKey is IRLWKEYFILHTBX-ROUUACIJSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11(2)17(21)15-5-13(7-19-9-15)14-6-16(10-20-8-14)18(22)12(3)4/h5-12,17-18,21-22H,1-4H3/t17-,18-/m0/s1.
What are the key properties of (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol?
(1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol has a molecular weight of 300.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol is sourced from PubChem (CID 11335596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).