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

C31H33ClN8O3 — CID 134436136

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

2-chloro-N-[1-[5-[3-cyano-6-[[(2R)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (PubChem CID 134436136) has the molecular formula C31H33ClN8O3 and a molecular weight of 601.11 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-[3-cyano-6-[[(2R)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[5-[3-cyano-6-[[(2R)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
• PubChem CID: 134436136
• Molecular Formula: C31H33ClN8O3
• Molecular Weight: 601.11 g/mol
• Exact Mass: 600.24
• IUPAC Name: 2-chloro-N-[1-[5-[3-cyano-6-[[(2R)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
• SMILES: Cc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OC[C@H]4CNCCO4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C31H33ClN8O3/c1-20-4-3-5-25(32)28(20)30(41)38-31(2)6-9-39(10-7-31)27-17-35-26(16-36-27)24-12-22(43-19-23-15-34-8-11-42-23)18-40-29(24)21(13-33)14-37-40/h3-5,12,14,16-18,23,34H,6-11,15,19H2,1-2H3,(H,38,41)/t23-/m1/s1
• InChIKey: BUVCRZHGXYNWPW-HSZRJFAPSA-N
• XLogP: 3.78
• TPSA: 129.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.11
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-[[(2R)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (CID 134436136) is 2-chloro-N-[1-[5-[3-cyano-6-[[(2R)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide.

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

The canonical SMILES for 2-chloro-N-[1-[5-[3-cyano-6-[[(2R)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is Cc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OC[C@H]4CNCCO4)cn4ncc(C#N)c34)cn2)CC1.

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

The InChIKey is BUVCRZHGXYNWPW-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H33ClN8O3/c1-20-4-3-5-25(32)28(20)30(41)38-31(2)6-9-39(10-7-31)27-17-35-26(16-36-27)24-12-22(43-19-23-15-34-8-11-42-23)18-40-29(24)21(13-33)14-37-40/h3-5,12,14,16-18,23,34H,6-11,15,19H2,1-2H3,(H,38,41)/t23-/m1/s1.

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

2-chloro-N-[1-[5-[3-cyano-6-[[(2R)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide has a molecular weight of 601.11 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[5-[3-cyano-6-[[(2R)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is sourced from PubChem (CID 134436136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).