4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol

C23H25ClN4O — CID 58127174

IUPAC4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2cc(-c3cccc(NCc4cccnc4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C23H25ClN4O/c24-21-15-26-18(11-16-6-8-19(29)9-7-16)12-20(21)22-4-1-5-23(28-22)27-14-17-3-2-10-25-13-17/h1-5,10,12-13,15-16,19,29H,6-9,11,14H2,(H,27,28)
InChIKeyHLSVDAHUEFZPSM-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.90
Rot. Bonds6

About 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol

4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol (PubChem CID 58127174) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
PubChem CID58127174
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2cc(-c3cccc(NCc4cccnc4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C23H25ClN4O/c24-21-15-26-18(11-16-6-8-19(29)9-7-16)12-20(21)22-4-1-5-23(28-22)27-14-17-3-2-10-25-13-17/h1-5,10,12-13,15-16,19,29H,6-9,11,14H2,(H,27,28)
InChIKeyHLSVDAHUEFZPSM-UHFFFAOYSA-N
XLogP4.90
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127148
4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127078
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 58127337
6-[5-chloro-2-[[4-(methoxymethyl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127331
6-[2-[[(1R,3R)-3-aminocyclopentyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127344
6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127379
6-[2-[[(3S,4S)-4-amino-3-methylcyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127144
6-[5-chloro-2-[(1-ethylsulfonylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127051
[(1S,3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclopentyl]-pyrrolidin-1-ylmethanone
CID 58127329
6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 123952156
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]oxan-4-ol
CID 161020079
4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127255

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol (CID 58127174) is 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol is OC1CCC(Cc2cc(-c3cccc(NCc4cccnc4)n3)c(Cl)cn2)CC1.
What is the InChIKey of 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
The InChIKey is HLSVDAHUEFZPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c24-21-15-26-18(11-16-6-8-19(29)9-7-16)12-20(21)22-4-1-5-23(28-22)27-14-17-3-2-10-25-13-17/h1-5,10,12-13,15-16,19,29H,6-9,11,14H2,(H,27,28).
What are the key properties of 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol has a molecular weight of 408.93 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 58127174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).