[3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid

C30H33F4N7O5 — CID 138682741

About [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid

[3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid (PubChem CID 138682741) has the molecular formula C30H33F4N7O5 and a molecular weight of 647.63 g/mol. Its IUPAC name is [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid.

Molecular Properties

• Compound Name: [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid
• PubChem CID: 138682741
• Molecular Formula: C30H33F4N7O5
• Molecular Weight: 647.63 g/mol
• Exact Mass: 647.25
• IUPAC Name: [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid
• SMILES: CCN(C(=O)O)c1cc2c(cn1)c(-c1cnn(C[C@@H]3COC(C)(C)O3)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
• InChI: InChI=1S/C30H33F4N7O5/c1-4-40(28(42)43)24-11-23-21(13-36-24)26(17-12-37-39(14-17)15-20-16-44-29(2,3)46-20)38-41(23)18-5-7-19(8-6-18)45-27-25(31)22(9-10-35-27)30(32,33)34/h9-14,18-20H,4-8,15-16H2,1-3H3,(H,42,43)/t18?,19?,20-/m1/s1
• InChIKey: KVOVFONWDINUFL-SOAGJPPSSA-N
• XLogP: 6.07
• TPSA: 129.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.63
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid?

The IUPAC name of [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid (CID 138682741) is [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid.

What is the SMILES notation for [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid?

The canonical SMILES for [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid is CCN(C(=O)O)c1cc2c(cn1)c(-c1cnn(C[C@@H]3COC(C)(C)O3)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.

What is the InChIKey of [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid?

The InChIKey is KVOVFONWDINUFL-SOAGJPPSSA-N. The full InChI is InChI=1S/C30H33F4N7O5/c1-4-40(28(42)43)24-11-23-21(13-36-24)26(17-12-37-39(14-17)15-20-16-44-29(2,3)46-20)38-41(23)18-5-7-19(8-6-18)45-27-25(31)22(9-10-35-27)30(32,33)34/h9-14,18-20H,4-8,15-16H2,1-3H3,(H,42,43)/t18?,19?,20-/m1/s1.

What are the key properties of [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid?

[3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid has a molecular weight of 647.63 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid is sourced from PubChem (CID 138682741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).