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

C33H37ClN8O3 — CID 134435597

About 2-chloro-N-[1-[5-[3-cyano-6-[(4-ethylmorpholin-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-[(4-ethylmorpholin-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (PubChem CID 134435597) has the molecular formula C33H37ClN8O3 and a molecular weight of 629.17 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-[3-cyano-6-[(4-ethylmorpholin-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-[(4-ethylmorpholin-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
• PubChem CID: 134435597
• Molecular Formula: C33H37ClN8O3
• Molecular Weight: 629.17 g/mol
• Exact Mass: 628.27
• IUPAC Name: 2-chloro-N-[1-[5-[3-cyano-6-[(4-ethylmorpholin-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
• SMILES: CCN1CCOC(COc2cc(-c3cnc(N4CCC(C)(NC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1
• InChI: InChI=1S/C33H37ClN8O3/c1-4-40-12-13-44-25(19-40)21-45-24-14-26(31-23(15-35)16-38-42(31)20-24)28-17-37-29(18-36-28)41-10-8-33(3,9-11-41)39-32(43)30-22(2)6-5-7-27(30)34/h5-7,14,16-18,20,25H,4,8-13,19,21H2,1-3H3,(H,39,43)
• InChIKey: DRLWRBYKVGWNPJ-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 120.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.17
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-[(4-ethylmorpholin-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-[(4-ethylmorpholin-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (CID 134435597) is 2-chloro-N-[1-[5-[3-cyano-6-[(4-ethylmorpholin-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-[(4-ethylmorpholin-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-[(4-ethylmorpholin-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is CCN1CCOC(COc2cc(-c3cnc(N4CCC(C)(NC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1.

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

The InChIKey is DRLWRBYKVGWNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClN8O3/c1-4-40-12-13-44-25(19-40)21-45-24-14-26(31-23(15-35)16-38-42(31)20-24)28-17-37-29(18-36-28)41-10-8-33(3,9-11-41)39-32(43)30-22(2)6-5-7-27(30)34/h5-7,14,16-18,20,25H,4,8-13,19,21H2,1-3H3,(H,39,43).

What are the key properties of 2-chloro-N-[1-[5-[3-cyano-6-[(4-ethylmorpholin-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-[(4-ethylmorpholin-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide has a molecular weight of 629.17 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 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-[(4-ethylmorpholin-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is sourced from PubChem (CID 134435597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).