4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine

C24H27ClFN5 — CID 77460758

IUPAC4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
SMILESCC1CC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CCC1N
InChIInChI=1S/C24H27ClFN5/c1-15-10-18(8-9-21(15)27)30-24-12-19(20(25)14-29-24)22-6-3-7-23(31-22)28-13-16-4-2-5-17(26)11-16/h2-7,11-12,14-15,18,21H,8-10,13,27H2,1H3,(H,28,31)(H,29,30)
InChIKeyFAQDLUFLXPAFMS-UHFFFAOYSA-N
MW439.97 g/mol
LogP5.48
Rot. Bonds6

About 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine

4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine (PubChem CID 77460758) has the molecular formula C24H27ClFN5 and a molecular weight of 439.97 g/mol. Its IUPAC name is 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
PubChem CID77460758
Molecular FormulaC24H27ClFN5
Molecular Weight439.97 g/mol
Exact Mass439.19
IUPAC Name4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
SMILESCC1CC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CCC1N
InChIInChI=1S/C24H27ClFN5/c1-15-10-18(8-9-21(15)27)30-24-12-19(20(25)14-29-24)22-6-3-7-23(31-22)28-13-16-4-2-5-17(26)11-16/h2-7,11-12,14-15,18,21H,8-10,13,27H2,1H3,(H,28,31)(H,29,30)
InChIKeyFAQDLUFLXPAFMS-UHFFFAOYSA-N
XLogP5.48
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.97
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

cis-(1S,3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66936933
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(oxan-4-yl)pyridin-2-amine
CID 70794022
6-[2-[[(3S,4S)-4-amino-3-methylcyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127144
4-N-[5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
CID 123136104
5-chloro-N-cyclohex-3-en-1-yl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 66937052
4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]-N-methylcyclohexane-1-carboxamide
CID 70793954
N-[[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70793963
6-[2-[[(1R,3R)-3-aminocyclopentyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127344
[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 70794043
5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine
CID 123903572
4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 67691259
6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127379

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine (CID 77460758) is 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine is CC1CC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CCC1N.
What is the InChIKey of 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine?
The InChIKey is FAQDLUFLXPAFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5/c1-15-10-18(8-9-21(15)27)30-24-12-19(20(25)14-29-24)22-6-3-7-23(31-22)28-13-16-4-2-5-17(26)11-16/h2-7,11-12,14-15,18,21H,8-10,13,27H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine?
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine has a molecular weight of 439.97 g/mol, XLogP of 5.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 77460758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).