2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol

C24H33Cl2N5O2 — CID 50907646

IUPAC2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol
SMILESOCCNC1CCC(Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1
InChIInChI=1S/C24H33Cl2N5O2/c25-20-5-6-22(28-14-16-7-11-33-12-8-16)31-24(20)19-13-23(29-15-21(19)26)30-18-3-1-17(2-4-18)27-9-10-32/h5-6,13,15-18,27,32H,1-4,7-12,14H2,(H,28,31)(H,29,30)
InChIKeyNMBNPSCYGIVNJY-UHFFFAOYSA-N
MW494.47 g/mol
LogP4.59
Rot. Bonds9

About 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol

2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol (PubChem CID 50907646) has the molecular formula C24H33Cl2N5O2 and a molecular weight of 494.47 g/mol. Its IUPAC name is 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol
PubChem CID50907646
Molecular FormulaC24H33Cl2N5O2
Molecular Weight494.47 g/mol
Exact Mass493.20
IUPAC Name2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol
SMILESOCCNC1CCC(Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1
InChIInChI=1S/C24H33Cl2N5O2/c25-20-5-6-22(28-14-16-7-11-33-12-8-16)31-24(20)19-13-23(29-15-21(19)26)30-18-3-1-17(2-4-18)27-9-10-32/h5-6,13,15-18,27,32H,1-4,7-12,14H2,(H,28,31)(H,29,30)
InChIKeyNMBNPSCYGIVNJY-UHFFFAOYSA-N
XLogP4.59
TPSA91.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol (CID 50907646) is 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol is OCCNC1CCC(Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1.
What is the InChIKey of 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol?
The InChIKey is NMBNPSCYGIVNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33Cl2N5O2/c25-20-5-6-22(28-14-16-7-11-33-12-8-16)31-24(20)19-13-23(29-15-21(19)26)30-18-3-1-17(2-4-18)27-9-10-32/h5-6,13,15-18,27,32H,1-4,7-12,14H2,(H,28,31)(H,29,30).
What are the key properties of 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol?
2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol has a molecular weight of 494.47 g/mol, XLogP of 4.59, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol is sourced from PubChem (CID 50907646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).