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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Launch Full Analysis

Related Compounds

2-[[4-[[5-chloro-4-[2-chloro-5-(oxan-4-ylmethylamino)-3-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol
CID 123854526
1-N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine
CID 50905094
5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127178
(2R)-3-[[4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 66937185
4-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
CID 66937205
4-[[5-chloro-4-[4-chloro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexan-1-ol
CID 67694551
1-N-[5-chloro-4-[3-chloro-6-[[(3S)-oxan-3-yl]methylamino]-2-pyridinyl]-2-pyridinyl]-4-N-[(2R)-1-methoxypropan-2-yl]cyclohexane-1,4-diamine
CID 50907858
[4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol
CID 67691867
(2S)-3-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 70794028
6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 163789783
5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
CID 67043295
2-[[4-[[5-chloro-4-[6-chloro-2-ethyl-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methylideneamino]ethanol
CID 123766052

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).