3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine

C83H96F6N22O4S — CID 160998448

IUPAC3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
SMILESCCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cccs4)cnc3N)c(F)c2F)CC1.CCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cnn(C5CCOCC5)c4)cnc3N)c(F)c2F)CC1.CCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cnn(CCC(C)C)c4)cnc3N)c(F)c2F)CC1
InChIInChI=1S/C29H34F2N8O2.C29H36F2N8O.C25H26F2N6OS/c1-2-18-3-5-19(6-4-18)17-41-25-8-7-24(26(30)27(25)31)39-29(35-36-37-39)23-13-20(14-33-28(23)32)21-15-34-38(16-21)22-9-11-40-12-10-22;1-4-19-5-7-20(8-6-19)17-40-25-10-9-24(26(30)27(25)31)39-29(35-36-37-39)23-13-21(14-33-28(23)32)22-15-34-38(16-22)12-11-18(2)3;1-2-15-5-7-16(8-6-15)14-34-20-10-9-19(22(26)23(20)27)33-25(30-31-32-33)18-12-17(13-29-24(18)28)21-4-3-11-35-21/h7-8,13-16,18-19,22H,2-6,9-12,17H2,1H3,(H2,32,33);9-10,13-16,18-20H,4-8,11-12,17H2,1-3H3,(H2,32,33);3-4,9-13,15-16H,2,5-8,14H2,1H3,(H2,28,29)
InChIKeyTVOAKHNJKWHPSR-UHFFFAOYSA-N
MW1611.89 g/mol
LogP17.39
Rot. Bonds25

About 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine

3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine (PubChem CID 160998448) has the molecular formula C83H96F6N22O4S and a molecular weight of 1611.89 g/mol. Its IUPAC name is 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
PubChem CID160998448
Molecular FormulaC83H96F6N22O4S
Molecular Weight1611.89 g/mol
Exact Mass1610.76
IUPAC Name3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
SMILESCCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cccs4)cnc3N)c(F)c2F)CC1.CCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cnn(C5CCOCC5)c4)cnc3N)c(F)c2F)CC1.CCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cnn(CCC(C)C)c4)cnc3N)c(F)c2F)CC1
InChIInChI=1S/C29H34F2N8O2.C29H36F2N8O.C25H26F2N6OS/c1-2-18-3-5-19(6-4-18)17-41-25-8-7-24(26(30)27(25)31)39-29(35-36-37-39)23-13-20(14-33-28(23)32)21-15-34-38(16-21)22-9-11-40-12-10-22;1-4-19-5-7-20(8-6-19)17-40-25-10-9-24(26(30)27(25)31)39-29(35-36-37-39)23-13-21(14-33-28(23)32)22-15-34-38(16-22)12-11-18(2)3;1-2-15-5-7-16(8-6-15)14-34-20-10-9-19(22(26)23(20)27)33-25(30-31-32-33)18-12-17(13-29-24(18)28)21-4-3-11-35-21/h7-8,13-16,18-19,22H,2-6,9-12,17H2,1H3,(H2,32,33);9-10,13-16,18-20H,4-8,11-12,17H2,1-3H3,(H2,32,33);3-4,9-13,15-16H,2,5-8,14H2,1H3,(H2,28,29)
InChIKeyTVOAKHNJKWHPSR-UHFFFAOYSA-N
XLogP17.39
TPSA320.09 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001611.89
LogP ≤ 517.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?
The IUPAC name of 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine (CID 160998448) is 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine.
What is the SMILES notation for 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?
The canonical SMILES for 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine is CCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cccs4)cnc3N)c(F)c2F)CC1.CCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cnn(C5CCOCC5)c4)cnc3N)c(F)c2F)CC1.CCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cnn(CCC(C)C)c4)cnc3N)c(F)c2F)CC1.
What is the InChIKey of 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?
The InChIKey is TVOAKHNJKWHPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N8O2.C29H36F2N8O.C25H26F2N6OS/c1-2-18-3-5-19(6-4-18)17-41-25-8-7-24(26(30)27(25)31)39-29(35-36-37-39)23-13-20(14-33-28(23)32)21-15-34-38(16-21)22-9-11-40-12-10-22;1-4-19-5-7-20(8-6-19)17-40-25-10-9-24(26(30)27(25)31)39-29(35-36-37-39)23-13-21(14-33-28(23)32)22-15-34-38(16-22)12-11-18(2)3;1-2-15-5-7-16(8-6-15)14-34-20-10-9-19(22(26)23(20)27)33-25(30-31-32-33)18-12-17(13-29-24(18)28)21-4-3-11-35-21/h7-8,13-16,18-19,22H,2-6,9-12,17H2,1H3,(H2,32,33);9-10,13-16,18-20H,4-8,11-12,17H2,1-3H3,(H2,32,33);3-4,9-13,15-16H,2,5-8,14H2,1H3,(H2,28,29).
What are the key properties of 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?
3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine has a molecular weight of 1611.89 g/mol, XLogP of 17.39, 25 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine is sourced from PubChem (CID 160998448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).