6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine

C25H27ClF2N4O — CID 58127265

IUPAC6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESNC1CCC(Cc2cc(-c3cccc(NCc4cccc(OC(F)F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C25H27ClF2N4O/c26-22-15-30-19(11-16-7-9-18(29)10-8-16)13-21(22)23-5-2-6-24(32-23)31-14-17-3-1-4-20(12-17)33-25(27)28/h1-6,12-13,15-16,18,25H,7-11,14,29H2,(H,31,32)
InChIKeyQOFVNJSSDCPDGW-UHFFFAOYSA-N
MW472.97 g/mol
LogP6.07
Rot. Bonds8

About 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine

6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine (PubChem CID 58127265) has the molecular formula C25H27ClF2N4O and a molecular weight of 472.97 g/mol. Its IUPAC name is 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
PubChem CID58127265
Molecular FormulaC25H27ClF2N4O
Molecular Weight472.97 g/mol
Exact Mass472.18
IUPAC Name6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESNC1CCC(Cc2cc(-c3cccc(NCc4cccc(OC(F)F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C25H27ClF2N4O/c26-22-15-30-19(11-16-7-9-18(29)10-8-16)13-21(22)23-5-2-6-24(32-23)31-14-17-3-1-4-20(12-17)33-25(27)28/h1-6,12-13,15-16,18,25H,7-11,14,29H2,(H,31,32)
InChIKeyQOFVNJSSDCPDGW-UHFFFAOYSA-N
XLogP6.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.97
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine (CID 58127265) is 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine is NC1CCC(Cc2cc(-c3cccc(NCc4cccc(OC(F)F)c4)n3)c(Cl)cn2)CC1.
What is the InChIKey of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
The InChIKey is QOFVNJSSDCPDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF2N4O/c26-22-15-30-19(11-16-7-9-18(29)10-8-16)13-21(22)23-5-2-6-24(32-23)31-14-17-3-1-4-20(12-17)33-25(27)28/h1-6,12-13,15-16,18,25H,7-11,14,29H2,(H,31,32).
What are the key properties of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine has a molecular weight of 472.97 g/mol, XLogP of 6.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 58127265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).