4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide

C27H33N7O2 — CID 138715410

About 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide

4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide (PubChem CID 138715410) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide
• PubChem CID: 138715410
• Molecular Formula: C27H33N7O2
• Molecular Weight: 487.61 g/mol
• Exact Mass: 487.27
• IUPAC Name: 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide
• SMILES: CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(C(=O)NC(C)C)cc2)CC1
• InChI: InChI=1S/C27H33N7O2/c1-17(2)31-27(35)18-5-9-21(10-6-18)36-22-11-7-20(8-12-22)34-24-13-25(28-3)29-15-23(24)26(32-34)19-14-30-33(4)16-19/h5-6,9-10,13-17,20,22H,7-8,11-12H2,1-4H3,(H,28,29)(H,31,35)
• InChIKey: FEMNETXMVKEMJZ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 98.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.61
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide?

The IUPAC name of 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide (CID 138715410) is 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide.

What is the SMILES notation for 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide?

The canonical SMILES for 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccc(C(=O)NC(C)C)cc2)CC1.

What is the InChIKey of 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide?

The InChIKey is FEMNETXMVKEMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-17(2)31-27(35)18-5-9-21(10-6-18)36-22-11-7-20(8-12-22)34-24-13-25(28-3)29-15-23(24)26(32-34)19-14-30-33(4)16-19/h5-6,9-10,13-17,20,22H,7-8,11-12H2,1-4H3,(H,28,29)(H,31,35).

What are the key properties of 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide?

4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide has a molecular weight of 487.61 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 138715410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).