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

C25H27ClF2N4O — CID 58127340

IUPAC6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESNC1CCC(Cc2cc(-c3cccc(NCc4ccc(OC(F)F)cc4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C25H27ClF2N4O/c26-22-15-30-19(12-16-4-8-18(29)9-5-16)13-21(22)23-2-1-3-24(32-23)31-14-17-6-10-20(11-7-17)33-25(27)28/h1-3,6-7,10-11,13,15-16,18,25H,4-5,8-9,12,14,29H2,(H,31,32)
InChIKeyBXCCRTAZWUUAQC-UHFFFAOYSA-N
MW472.97 g/mol
LogP6.07
Rot. Bonds8

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

6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine (PubChem CID 58127340) 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-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
PubChem CID58127340
Molecular FormulaC25H27ClF2N4O
Molecular Weight472.97 g/mol
Exact Mass472.18
IUPAC Name6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESNC1CCC(Cc2cc(-c3cccc(NCc4ccc(OC(F)F)cc4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C25H27ClF2N4O/c26-22-15-30-19(12-16-4-8-18(29)9-5-16)13-21(22)23-2-1-3-24(32-23)31-14-17-6-10-20(11-7-17)33-25(27)28/h1-3,6-7,10-11,13,15-16,18,25H,4-5,8-9,12,14,29H2,(H,31,32)
InChIKeyBXCCRTAZWUUAQC-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-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine with MolForge

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Related Compounds

4-(2-Chloro-5-methoxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10110345
4-(2-Chloro-5-methoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10177828
(S)-6-Chloro-5-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-2-(pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11397947
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-4-ylpyrimidin-4-amine
CID 11667189
6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyridin-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine;hydrochloride
CID 25211683
6-((2-(2-chlorophenyl)-5-(4-(pyridin-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 46884524
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine
CID 53325827
5-chloro-4-N-[(4-methoxyphenyl)methyl]-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665855
N-(trans-4-(aminomethyl)cyclohexyl)-5'-chloro-6-(3-fluorobenzyloxy)-2,4'-bipyridin-2'-amine
CID 66937029
N2'-(trans-4-aminocyclohexyl)-N6-(3-fluorobenzyl)-5'-methoxy-2,4'-bipyridine-2',6-diamine
CID 66937200
4-N-[5-chloro-4-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405068
4-N-[5-chloro-4-[6-[(3-methoxyphenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405073

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine (CID 58127340) is 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine is NC1CCC(Cc2cc(-c3cccc(NCc4ccc(OC(F)F)cc4)n3)c(Cl)cn2)CC1.
What is the InChIKey of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
The InChIKey is BXCCRTAZWUUAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF2N4O/c26-22-15-30-19(12-16-4-8-18(29)9-5-16)13-21(22)23-2-1-3-24(32-23)31-14-17-6-10-20(11-7-17)33-25(27)28/h1-3,6-7,10-11,13,15-16,18,25H,4-5,8-9,12,14,29H2,(H,31,32).
What are the key properties of 6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(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-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 58127340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).