2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine

C34H41F3N8O2 — CID 145269334

About 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine

2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 145269334) has the molecular formula C34H41F3N8O2 and a molecular weight of 650.75 g/mol. Its IUPAC name is 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

• Compound Name: 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine
• PubChem CID: 145269334
• Molecular Formula: C34H41F3N8O2
• Molecular Weight: 650.75 g/mol
• Exact Mass: 650.33
• IUPAC Name: 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine
• SMILES: CN1CCN(Cc2ccc(-c3ccc(COC4CCNC4)cc3)cc2C(F)(F)F)CC1.Cn1cc(-c2cnc(N)c(C(N)=O)c2)cn1
• InChI: InChI=1S/C24H30F3N3O.C10H11N5O/c1-29-10-12-30(13-11-29)16-21-7-6-20(14-23(21)24(25,26)27)19-4-2-18(3-5-19)17-31-22-8-9-28-15-22;1-15-5-7(4-14-15)6-2-8(10(12)16)9(11)13-3-6/h2-7,14,22,28H,8-13,15-17H2,1H3;2-5H,1H3,(H2,11,13)(H2,12,16)
• InChIKey: ADAMJKAJZHFQMX-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 127.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.75
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine?

The IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine (CID 145269334) is 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine.

What is the SMILES notation for 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine?

The canonical SMILES for 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine is CN1CCN(Cc2ccc(-c3ccc(COC4CCNC4)cc3)cc2C(F)(F)F)CC1.Cn1cc(-c2cnc(N)c(C(N)=O)c2)cn1.

What is the InChIKey of 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine?

The InChIKey is ADAMJKAJZHFQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O.C10H11N5O/c1-29-10-12-30(13-11-29)16-21-7-6-20(14-23(21)24(25,26)27)19-4-2-18(3-5-19)17-31-22-8-9-28-15-22;1-15-5-7(4-14-15)6-2-8(10(12)16)9(11)13-3-6/h2-7,14,22,28H,8-13,15-17H2,1H3;2-5H,1H3,(H2,11,13)(H2,12,16).

What are the key properties of 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine?

2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 650.75 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;1-methyl-4-[[4-[4-(pyrrolidin-3-yloxymethyl)phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 145269334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).