4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide

C27H37N7O2 — CID 67031335

About 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide

4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide (PubChem CID 67031335) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide
• PubChem CID: 67031335
• Molecular Formula: C27H37N7O2
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.30
• IUPAC Name: 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide
• SMILES: CCc1nc2c(cnn2CC)c(NC2CCN(C(N)=O)CC2)c1CNC(=O)c1ccc(C(C)C)cc1
• InChI: InChI=1S/C27H37N7O2/c1-5-23-21(15-29-26(35)19-9-7-18(8-10-19)17(3)4)24(22-16-30-34(6-2)25(22)32-23)31-20-11-13-33(14-12-20)27(28)36/h7-10,16-17,20H,5-6,11-15H2,1-4H3,(H2,28,36)(H,29,35)(H,31,32)
• InChIKey: ZOFUTHIBLNFKOC-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 118.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide?

The IUPAC name of 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide (CID 67031335) is 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide.

What is the SMILES notation for 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide?

The canonical SMILES for 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide is CCc1nc2c(cnn2CC)c(NC2CCN(C(N)=O)CC2)c1CNC(=O)c1ccc(C(C)C)cc1.

What is the InChIKey of 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide?

The InChIKey is ZOFUTHIBLNFKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O2/c1-5-23-21(15-29-26(35)19-9-7-18(8-10-19)17(3)4)24(22-16-30-34(6-2)25(22)32-23)31-20-11-13-33(14-12-20)27(28)36/h7-10,16-17,20H,5-6,11-15H2,1-4H3,(H2,28,36)(H,29,35)(H,31,32).

What are the key properties of 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide?

4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 4.02, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1,6-diethyl-5-[[(4-propan-2-ylbenzoyl)amino]methyl]pyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 67031335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).