(2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol

C15H18ClN3O — CID 166547316

IUPAC(2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol
SMILESCC(C)c1cnc(N2C[C@@H](O)[C@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C15H18ClN3O/c1-8(2)11-5-18-15(19-7-13(20)9(19)3)12-6-17-14(16)4-10(11)12/h4-6,8-9,13,20H,7H2,1-3H3/t9-,13-/m1/s1
InChIKeyUSLLJPCYNAEQAU-NOZJJQNGSA-N
MW291.78 g/mol
LogP2.98
Rot. Bonds2

About (2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol

(2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol (PubChem CID 166547316) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol.

Molecular Properties

Compound Name(2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol
PubChem CID166547316
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol
SMILESCC(C)c1cnc(N2C[C@@H](O)[C@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C15H18ClN3O/c1-8(2)11-5-18-15(19-7-13(20)9(19)3)12-6-17-14(16)4-10(11)12/h4-6,8-9,13,20H,7H2,1-3H3/t9-,13-/m1/s1
InChIKeyUSLLJPCYNAEQAU-NOZJJQNGSA-N
XLogP2.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-Chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol
CID 71924067
6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 166546607
2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]propan-1-ol
CID 166546631
6-Chloro-1-[3-(difluoromethyl)azetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 166546662
6-Chloro-1-[2-(difluoromethyl)azetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 166546733
6-Chloro-1-[3-(difluoromethoxy)azetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 166546748
2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol
CID 166546811
6-Chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
CID 166546814
6-Chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
CID 166546892
6-chloro-1-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 166546989
6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 166547087
[1-(6-Chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol
CID 166547095

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol?
The IUPAC name of (2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol (CID 166547316) is (2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol.
What is the SMILES notation for (2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol?
The canonical SMILES for (2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol is CC(C)c1cnc(N2C[C@@H](O)[C@H]2C)c2cnc(Cl)cc12.
What is the InChIKey of (2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol?
The InChIKey is USLLJPCYNAEQAU-NOZJJQNGSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-8(2)11-5-18-15(19-7-13(20)9(19)3)12-6-17-14(16)4-10(11)12/h4-6,8-9,13,20H,7H2,1-3H3/t9-,13-/m1/s1.
What are the key properties of (2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol?
(2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol has a molecular weight of 291.78 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol is sourced from PubChem (CID 166547316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).