6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane

C103H124F12N24O10 — CID 165006870

About 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane

6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane (PubChem CID 165006870) has the molecular formula C103H124F12N24O10 and a molecular weight of 2086.26 g/mol. Its IUPAC name is 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane.

Molecular Properties

• Compound Name: 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane
• PubChem CID: 165006870
• Molecular Formula: C103H124F12N24O10
• Molecular Weight: 2086.26 g/mol
• Exact Mass: 2084.97
• IUPAC Name: 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane
• SMILES: C.C/C1=C/CCC(C)C(=O)Nc2cnn(C(F)F)c2-c2ccnc1c2.CC(CCCC(C)c1cc(-c2c(N)cnn2C(F)F)ccn1)C(=O)O.CC1CCCC(=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O.CC1CCCC(C)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O.CC1CCCC(O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O.CCOC(=O)C(C)CCCC(C)c1cc(-c2c(N)cnn2C(F)F)ccn1
• InChI: InChI=1S/C19H26F2N4O2.C17H22F2N4O2.C17H20F2N4O.C17H18F2N4O.C16H18F2N4O2.C16H16F2N4O2.CH4/c1-4-27-18(26)13(3)7-5-6-12(2)16-10-14(8-9-23-16)17-15(22)11-24-25(17)19(20)21;1-10(4-3-5-11(2)16(24)25)14-8-12(6-7-21-14)15-13(20)9-22-23(15)17(18)19;2*1-10-4-3-5-11(2)16(24)22-14-9-21-23(17(18)19)15(14)12-6-7-20-13(10)8-12;2*1-9-3-2-4-13(23)11-7-10(5-6-19-11)14-12(21-15(9)24)8-20-22(14)16(17)18;/h8-13,19H,4-7,22H2,1-3H3;6-11,17H,3-5,20H2,1-2H3,(H,24,25);6-11,17H,3-5H2,1-2H3,(H,22,24);4,6-9,11,17H,3,5H2,1-2H3,(H,22,24);5-9,13,16,23H,2-4H2,1H3,(H,21,24);5-9,16H,2-4H2,1H3,(H,21,24);1H4/b;;;10-4-
• InChIKey: JCCZCZCGEGPNQQ-JWKBVKLBSA-N
• XLogP: 23.68
• TPSA: 453.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2086.26
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane?

The IUPAC name of 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane (CID 165006870) is 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane.

What is the SMILES notation for 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane?

The canonical SMILES for 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane is C.C/C1=C/CCC(C)C(=O)Nc2cnn(C(F)F)c2-c2ccnc1c2.CC(CCCC(C)c1cc(-c2c(N)cnn2C(F)F)ccn1)C(=O)O.CC1CCCC(=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O.CC1CCCC(C)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O.CC1CCCC(O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O.CCOC(=O)C(C)CCCC(C)c1cc(-c2c(N)cnn2C(F)F)ccn1.

What is the InChIKey of 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane?

The InChIKey is JCCZCZCGEGPNQQ-JWKBVKLBSA-N. The full InChI is InChI=1S/C19H26F2N4O2.C17H22F2N4O2.C17H20F2N4O.C17H18F2N4O.C16H18F2N4O2.C16H16F2N4O2.CH4/c1-4-27-18(26)13(3)7-5-6-12(2)16-10-14(8-9-23-16)17-15(22)11-24-25(17)19(20)21;1-10(4-3-5-11(2)16(24)25)14-8-12(6-7-21-14)15-13(20)9-22-23(15)17(18)19;2*1-10-4-3-5-11(2)16(24)22-14-9-21-23(17(18)19)15(14)12-6-7-20-13(10)8-12;2*1-9-3-2-4-13(23)11-7-10(5-6-19-11)14-12(21-15(9)24)8-20-22(14)16(17)18;/h8-13,19H,4-7,22H2,1-3H3;6-11,17H,3-5,20H2,1-2H3,(H,24,25);6-11,17H,3-5H2,1-2H3,(H,22,24);4,6-9,11,17H,3,5H2,1-2H3,(H,22,24);5-9,13,16,23H,2-4H2,1H3,(H,21,24);5-9,16H,2-4H2,1H3,(H,21,24);1H4/b;;;10-4-;;;.

What are the key properties of 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane?

6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane has a molecular weight of 2086.26 g/mol, XLogP of 23.68, 21 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoic acid;(12Z)-3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,12,14,16-hexaen-8-one;3-(difluoromethyl)-9,13-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-13-hydroxy-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaene-8,13-dione;ethyl 6-[4-[4-amino-1-(difluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methylheptanoate;methane is sourced from PubChem (CID 165006870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).