6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane

C25H29ClF2N4 — CID 162043335

IUPAC6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane
SMILESC.NC1CCC(Cc2cc(-c3ccc(F)c(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H25ClF2N4.CH4/c25-21-14-29-19(11-15-4-6-18(28)7-5-15)12-20(21)23-9-8-22(27)24(31-23)30-13-16-2-1-3-17(26)10-16;/h1-3,8-10,12,14-15,18H,4-7,11,13,28H2,(H,30,31);1H4
InChIKeyYXOJYZMTLCLUBN-UHFFFAOYSA-N
MW458.98 g/mol
LogP6.38
Rot. Bonds6

About 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane

6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane (PubChem CID 162043335) has the molecular formula C25H29ClF2N4 and a molecular weight of 458.98 g/mol. Its IUPAC name is 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane.

Molecular Properties

Compound Name6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane
PubChem CID162043335
Molecular FormulaC25H29ClF2N4
Molecular Weight458.98 g/mol
Exact Mass458.20
IUPAC Name6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane
SMILESC.NC1CCC(Cc2cc(-c3ccc(F)c(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H25ClF2N4.CH4/c25-21-14-29-19(11-15-4-6-18(28)7-5-15)12-20(21)23-9-8-22(27)24(31-23)30-13-16-2-1-3-17(26)10-16;/h1-3,8-10,12,14-15,18H,4-7,11,13,28H2,(H,30,31);1H4
InChIKeyYXOJYZMTLCLUBN-UHFFFAOYSA-N
XLogP6.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.98
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane with MolForge

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Launch Full Analysis

Related Compounds

6-[2-[[(1R,3R)-3-aminocyclopentyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127344
2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 58127396
6-[2-[[(3S,4S)-4-amino-3-methylcyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127144
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-2-pyridinyl]amino]methyl]oxane-4-carbonitrile;methane
CID 161080184
6-[5-chloro-2-[[4-(methoxymethyl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127331
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 58127337
6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127379
6-[5-chloro-2-[(1-ethylsulfonylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127051
4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 67691259
[(1S,3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclopentyl]-pyrrolidin-1-ylmethanone
CID 58127329
6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127137
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane?
The IUPAC name of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane (CID 162043335) is 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane.
What is the SMILES notation for 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane?
The canonical SMILES for 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane is C.NC1CCC(Cc2cc(-c3ccc(F)c(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1.
What is the InChIKey of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane?
The InChIKey is YXOJYZMTLCLUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4.CH4/c25-21-14-29-19(11-15-4-6-18(28)7-5-15)12-20(21)23-9-8-22(27)24(31-23)30-13-16-2-1-3-17(26)10-16;/h1-3,8-10,12,14-15,18H,4-7,11,13,28H2,(H,30,31);1H4.
What are the key properties of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane?
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane has a molecular weight of 458.98 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane is sourced from PubChem (CID 162043335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).