5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine

C26H36Cl2N4O3S — CID 58127178

IUPAC5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCS(=O)(=O)CCNC1CCC(Cc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1
InChIInChI=1S/C26H36Cl2N4O3S/c1-36(33,34)13-10-29-20-4-2-18(3-5-20)14-21-15-22(24(28)17-30-21)26-23(27)6-7-25(32-26)31-16-19-8-11-35-12-9-19/h6-7,15,17-20,29H,2-5,8-14,16H2,1H3,(H,31,32)
InChIKeyGZINKSLADQHREH-UHFFFAOYSA-N
MW555.57 g/mol
LogP5.02
Rot. Bonds10

About 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine

5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 58127178) has the molecular formula C26H36Cl2N4O3S and a molecular weight of 555.57 g/mol. Its IUPAC name is 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID58127178
Molecular FormulaC26H36Cl2N4O3S
Molecular Weight555.57 g/mol
Exact Mass554.19
IUPAC Name5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCS(=O)(=O)CCNC1CCC(Cc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1
InChIInChI=1S/C26H36Cl2N4O3S/c1-36(33,34)13-10-29-20-4-2-18(3-5-20)14-21-15-22(24(28)17-30-21)26-23(27)6-7-25(32-26)31-16-19-8-11-35-12-9-19/h6-7,15,17-20,29H,2-5,8-14,16H2,1H3,(H,31,32)
InChIKeyGZINKSLADQHREH-UHFFFAOYSA-N
XLogP5.02
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.57
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol
CID 50907646
2-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-[(3S)-1-methylsulfonylpiperidin-3-yl]ethanone
CID 58284751
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3,5-dichloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127135
(2R)-3-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 58127082
4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127078
1-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
CID 123961806
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
6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127137
5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
CID 67043295
6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 163789783
6-[5-chloro-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127168
N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide
CID 123874054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 58127178) is 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine is CS(=O)(=O)CCNC1CCC(Cc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is GZINKSLADQHREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36Cl2N4O3S/c1-36(33,34)13-10-29-20-4-2-18(3-5-20)14-21-15-22(24(28)17-30-21)26-23(27)6-7-25(32-26)31-16-19-8-11-35-12-9-19/h6-7,15,17-20,29H,2-5,8-14,16H2,1H3,(H,31,32).
What are the key properties of 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine?
5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 555.57 g/mol, XLogP of 5.02, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 58127178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).