N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

C26H25F2N5O2 — CID 50797420

About N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (PubChem CID 50797420) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
• PubChem CID: 50797420
• Molecular Formula: C26H25F2N5O2
• Molecular Weight: 477.52 g/mol
• Exact Mass: 477.20
• IUPAC Name: N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
• SMILES: COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5cc(F)cc(F)c5)CC4)nccn3n2)c1
• InChI: InChI=1S/C26H25F2N5O2/c1-35-22-4-2-3-19(13-22)23-15-24-25(29-7-10-33(24)31-23)32-8-5-18(6-9-32)26(34)30-16-17-11-20(27)14-21(28)12-17/h2-4,7,10-15,18H,5-6,8-9,16H2,1H3,(H,30,34)
• InChIKey: XIADAUMTCYTYFQ-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.52
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?

The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (CID 50797420) is N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5cc(F)cc(F)c5)CC4)nccn3n2)c1.

What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?

The InChIKey is XIADAUMTCYTYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-35-22-4-2-3-19(13-22)23-15-24-25(29-7-10-33(24)31-23)32-8-5-18(6-9-32)26(34)30-16-17-11-20(27)14-21(28)12-17/h2-4,7,10-15,18H,5-6,8-9,16H2,1H3,(H,30,34).

What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?

N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50797420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).