N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

C29H41N7O6S — CID 126741630

About N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741630) has the molecular formula C29H41N7O6S and a molecular weight of 615.76 g/mol. Its IUPAC name is N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
• PubChem CID: 126741630
• Molecular Formula: C29H41N7O6S
• Molecular Weight: 615.76 g/mol
• Exact Mass: 615.28
• IUPAC Name: N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
• SMILES: COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(N4CCOCC4)c3)c2n1
• InChI: InChI=1S/C29H41N7O6S/c1-20(2)27-26-24(34-9-6-21(7-10-34)19-41-4)18-23(29(37)33-43(38,39)16-15-40-3)31-28(26)36(32-27)22-5-8-30-25(17-22)35-11-13-42-14-12-35/h5,8,17-18,20-21H,6-7,9-16,19H2,1-4H3,(H,33,37)
• InChIKey: XVNDGHCXFLRTMW-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 141.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.76
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?

The IUPAC name of N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741630) is N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.

What is the SMILES notation for N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?

The canonical SMILES for N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(N4CCOCC4)c3)c2n1.

What is the InChIKey of N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?

The InChIKey is XVNDGHCXFLRTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N7O6S/c1-20(2)27-26-24(34-9-6-21(7-10-34)19-41-4)18-23(29(37)33-43(38,39)16-15-40-3)31-28(26)36(32-27)22-5-8-30-25(17-22)35-11-13-42-14-12-35/h5,8,17-18,20-21H,6-7,9-16,19H2,1-4H3,(H,33,37).

What are the key properties of N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?

N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 615.76 g/mol, XLogP of 2.34, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).