N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine

C23H27FN4OS — CID 11669080

IUPACN-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
SMILESCn1c(S(C)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCCC2)c1
InChIInChI=1S/C23H27FN4OS/c1-28-22(21(27-23(28)30(2)29)16-9-11-18(24)12-10-16)17-13-14-25-20(15-17)26-19-7-5-3-4-6-8-19/h9-15,19H,3-8H2,1-2H3,(H,25,26)
InChIKeyDNLVDOVCRBSTGN-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.16
Rot. Bonds5

About N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine

N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine (PubChem CID 11669080) has the molecular formula C23H27FN4OS and a molecular weight of 426.56 g/mol. Its IUPAC name is N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
PubChem CID11669080
Molecular FormulaC23H27FN4OS
Molecular Weight426.56 g/mol
Exact Mass426.19
IUPAC NameN-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
SMILESCn1c(S(C)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCCC2)c1
InChIInChI=1S/C23H27FN4OS/c1-28-22(21(27-23(28)30(2)29)16-9-11-18(24)12-10-16)17-13-14-25-20(15-17)26-19-7-5-3-4-6-8-19/h9-15,19H,3-8H2,1-2H3,(H,25,26)
InChIKeyDNLVDOVCRBSTGN-UHFFFAOYSA-N
XLogP5.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11502486
2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol
CID 68561498
N-cycloheptyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11691317
N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
CID 53238836
N-(1-benzylpiperidin-4-yl)-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 24810620
4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 24810307
N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
CID 11732208
4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
CID 46837667
1-[[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]propan-2-ol
CID 44568225
4-[5-(4-fluorophenyl)-2-[(S)-methylsulfinyl]-1H-imidazol-4-yl]-N-propan-2-ylpyridin-2-amine
CID 53238153
N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine
CID 69057317
4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol
CID 137018868

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine (CID 11669080) is N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine is Cn1c(S(C)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine?
The InChIKey is DNLVDOVCRBSTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4OS/c1-28-22(21(27-23(28)30(2)29)16-9-11-18(24)12-10-16)17-13-14-25-20(15-17)26-19-7-5-3-4-6-8-19/h9-15,19H,3-8H2,1-2H3,(H,25,26).
What are the key properties of N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine?
N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine has a molecular weight of 426.56 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 11669080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).