2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol

C23H28Cl2N6O2 — CID 176979165

IUPAC2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol
SMILESC[C@@H](Nc1cc(N2CC(C3CCCN(CCO)C3)C2)nc2onnc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N6O2/c1-14(18-5-4-17(24)9-19(18)25)26-20-10-21(27-23-22(20)28-29-33-23)31-12-16(13-31)15-3-2-6-30(11-15)7-8-32/h4-5,9-10,14-16,32H,2-3,6-8,11-13H2,1H3,(H,26,27)/t14-,15?/m1/s1
InChIKeyKJTOZRGICPRWHT-GICMACPYSA-N
MW491.42 g/mol
LogP4.24
Rot. Bonds7

About 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol

2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol (PubChem CID 176979165) has the molecular formula C23H28Cl2N6O2 and a molecular weight of 491.42 g/mol. Its IUPAC name is 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol
PubChem CID176979165
Molecular FormulaC23H28Cl2N6O2
Molecular Weight491.42 g/mol
Exact Mass490.17
IUPAC Name2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol
SMILESC[C@@H](Nc1cc(N2CC(C3CCCN(CCO)C3)C2)nc2onnc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N6O2/c1-14(18-5-4-17(24)9-19(18)25)26-20-10-21(27-23-22(20)28-29-33-23)31-12-16(13-31)15-3-2-6-30(11-15)7-8-32/h4-5,9-10,14-16,32H,2-3,6-8,11-13H2,1H3,(H,26,27)/t14-,15?/m1/s1
InChIKeyKJTOZRGICPRWHT-GICMACPYSA-N
XLogP4.24
TPSA90.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 176979289
2-[(3R)-3-[1-[5-chloro-7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1,3-benzoxazol-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 172596918
2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 138617230
3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-5-[3-[1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazine-2-carbonitrile
CID 139344096
2-[(3R)-3-[1-[6-chloro-7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-5-methyl-1,3-benzoxazol-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 172596941
2-[3-[1-[4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 139344103
2-[(3R)-3-[1-[4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 139344098
2-[3-[1-[4-[1-(2,4-dichlorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 138617170
2-[(3R)-3-[1-[6-chloro-7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-methylindol-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 172596880
3-[(3R)-3-[1-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]propanamide
CID 139356448
2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-iodopyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 172562520
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-6-[3-[1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide
CID 134210754

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol (CID 176979165) is 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol is C[C@@H](Nc1cc(N2CC(C3CCCN(CCO)C3)C2)nc2onnc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The InChIKey is KJTOZRGICPRWHT-GICMACPYSA-N. The full InChI is InChI=1S/C23H28Cl2N6O2/c1-14(18-5-4-17(24)9-19(18)25)26-20-10-21(27-23-22(20)28-29-33-23)31-12-16(13-31)15-3-2-6-30(11-15)7-8-32/h4-5,9-10,14-16,32H,2-3,6-8,11-13H2,1H3,(H,26,27)/t14-,15?/m1/s1.
What are the key properties of 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol has a molecular weight of 491.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 176979165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).