2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide

C33H36ClN7O3 — CID 134435571

About 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide

2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide (PubChem CID 134435571) has the molecular formula C33H36ClN7O3 and a molecular weight of 614.15 g/mol. Its IUPAC name is 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide
• PubChem CID: 134435571
• Molecular Formula: C33H36ClN7O3
• Molecular Weight: 614.15 g/mol
• Exact Mass: 613.26
• IUPAC Name: 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide
• SMILES: Cc1cccc(Cl)c1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)nc2)CC1
• InChI: InChI=1S/C33H36ClN7O3/c1-23-4-3-5-28(34)30(23)32(42)38-33(2)8-10-40(11-9-33)25-6-7-29(36-21-25)27-18-26(22-41-31(27)24(19-35)20-37-41)44-17-14-39-12-15-43-16-13-39/h3-7,18,20-22H,8-17H2,1-2H3,(H,38,42)
• InChIKey: YLYSYXFXKNPITE-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 108.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.15
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide?

The IUPAC name of 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide (CID 134435571) is 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide.

What is the SMILES notation for 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide?

The canonical SMILES for 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide is Cc1cccc(Cl)c1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)nc2)CC1.

What is the InChIKey of 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide?

The InChIKey is YLYSYXFXKNPITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36ClN7O3/c1-23-4-3-5-28(34)30(23)32(42)38-33(2)8-10-40(11-9-33)25-6-7-29(36-21-25)27-18-26(22-41-31(27)24(19-35)20-37-41)44-17-14-39-12-15-43-16-13-39/h3-7,18,20-22H,8-17H2,1-2H3,(H,38,42).

What are the key properties of 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide?

2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide has a molecular weight of 614.15 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[6-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-3-pyridinyl]-4-methylpiperidin-4-yl]-6-methylbenzamide is sourced from PubChem (CID 134435571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).