2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol

C23H31Cl2N5O — CID 138617230

IUPAC2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
SMILESCc1ncc(N2CC(C3CCCN(CCO)C3)C2)nc1NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H31Cl2N5O/c1-15(20-6-5-19(24)10-21(20)25)27-23-16(2)26-11-22(28-23)30-13-18(14-30)17-4-3-7-29(12-17)8-9-31/h5-6,10-11,15,17-18,31H,3-4,7-9,12-14H2,1-2H3,(H,27,28)
InChIKeyGIZDVEPDMXBPTP-UHFFFAOYSA-N
MW464.44 g/mol
LogP4.41
Rot. Bonds7

About 2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol

2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol (PubChem CID 138617230) has the molecular formula C23H31Cl2N5O and a molecular weight of 464.44 g/mol. Its IUPAC name is 2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
PubChem CID138617230
Molecular FormulaC23H31Cl2N5O
Molecular Weight464.44 g/mol
Exact Mass463.19
IUPAC Name2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
SMILESCc1ncc(N2CC(C3CCCN(CCO)C3)C2)nc1NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H31Cl2N5O/c1-15(20-6-5-19(24)10-21(20)25)27-23-16(2)26-11-22(28-23)30-13-18(14-30)17-4-3-7-29(12-17)8-9-31/h5-6,10-11,15,17-18,31H,3-4,7-9,12-14H2,1-2H3,(H,27,28)
InChIKeyGIZDVEPDMXBPTP-UHFFFAOYSA-N
XLogP4.41
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[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
3-[1-(2,4-dichlorophenyl)ethylamino]-5-[3-[1-(3-hydroxybutyl)piperidin-3-yl]azetidin-1-yl]pyrazine-2-carboximidoyl cyanide
CID 142587388
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
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-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-iodopyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 172562520
3-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-1-ol
CID 134211221
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-[(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
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[3-[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
CID 134225255

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol (CID 138617230) is 2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol is Cc1ncc(N2CC(C3CCCN(CCO)C3)C2)nc1NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The InChIKey is GIZDVEPDMXBPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31Cl2N5O/c1-15(20-6-5-19(24)10-21(20)25)27-23-16(2)26-11-22(28-23)30-13-18(14-30)17-4-3-7-29(12-17)8-9-31/h5-6,10-11,15,17-18,31H,3-4,7-9,12-14H2,1-2H3,(H,27,28).
What are the key properties of 2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol has a molecular weight of 464.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 138617230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).