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

C31H32ClFN8O2 — CID 134436649

About 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoropyrrolidin-3-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-[(3-fluoropyrrolidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (PubChem CID 134436649) has the molecular formula C31H32ClFN8O2 and a molecular weight of 603.10 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoropyrrolidin-3-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-[(3-fluoropyrrolidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
• PubChem CID: 134436649
• Molecular Formula: C31H32ClFN8O2
• Molecular Weight: 603.10 g/mol
• Exact Mass: 602.23
• IUPAC Name: 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoropyrrolidin-3-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(OCC4(F)CCNC4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C31H32ClFN8O2/c1-20-4-3-5-24(32)27(20)29(42)39-30(2)7-10-40(11-8-30)26-16-36-25(15-37-26)23-12-22(43-19-31(33)6-9-35-18-31)17-41-28(23)21(13-34)14-38-41/h3-5,12,14-17,35H,6-11,18-19H2,1-2H3,(H,39,42)
• InChIKey: RJHHYYJSFAHXKD-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 120.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.10
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoropyrrolidin-3-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-[(3-fluoropyrrolidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (CID 134436649) is 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoropyrrolidin-3-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-[(3-fluoropyrrolidin-3-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-[(3-fluoropyrrolidin-3-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(OCC4(F)CCNC4)cn4ncc(C#N)c34)cn2)CC1.

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

The InChIKey is RJHHYYJSFAHXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClFN8O2/c1-20-4-3-5-24(32)27(20)29(42)39-30(2)7-10-40(11-8-30)26-16-36-25(15-37-26)23-12-22(43-19-31(33)6-9-35-18-31)17-41-28(23)21(13-34)14-38-41/h3-5,12,14-17,35H,6-11,18-19H2,1-2H3,(H,39,42).

What are the key properties of 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoropyrrolidin-3-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-[(3-fluoropyrrolidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide has a molecular weight of 603.10 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoropyrrolidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide is sourced from PubChem (CID 134436649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).