[1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid

C30H34F2N6O5 — CID 138682984

About [1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid

[1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid (PubChem CID 138682984) has the molecular formula C30H34F2N6O5 and a molecular weight of 596.64 g/mol. Its IUPAC name is [1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid.

Molecular Properties

• Compound Name: [1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid
• PubChem CID: 138682984
• Molecular Formula: C30H34F2N6O5
• Molecular Weight: 596.64 g/mol
• Exact Mass: 596.26
• IUPAC Name: [1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid
• SMILES: CCN(C(=O)O)c1cc2c(cn1)c(-c1cnn(CC3COC(C)(C)O3)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1
• InChI: InChI=1S/C30H34F2N6O5/c1-4-37(29(39)40)26-12-24-22(14-33-26)28(18-13-34-36(15-18)16-21-17-41-30(2,3)43-21)35-38(24)19-8-10-20(11-9-19)42-25-7-5-6-23(31)27(25)32/h5-7,12-15,19-21H,4,8-11,16-17H2,1-3H3,(H,39,40)
• InChIKey: WPVKIBIICIZPED-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 116.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.64
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid (CID 138682984) is [1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid.

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

The canonical SMILES for [1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid is CCN(C(=O)O)c1cc2c(cn1)c(-c1cnn(CC3COC(C)(C)O3)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1.

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

The InChIKey is WPVKIBIICIZPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N6O5/c1-4-37(29(39)40)26-12-24-22(14-33-26)28(18-13-34-36(15-18)16-21-17-41-30(2,3)43-21)35-38(24)19-8-10-20(11-9-19)42-25-7-5-6-23(31)27(25)32/h5-7,12-15,19-21H,4,8-11,16-17H2,1-3H3,(H,39,40).

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

[1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid has a molecular weight of 596.64 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-(2,3-difluorophenoxy)cyclohexyl]-3-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]-ethylcarbamic acid is sourced from PubChem (CID 138682984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).