4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde

C45H47Br2F3N12O3 — CID 167570208

About 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde

4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde (PubChem CID 167570208) has the molecular formula C45H47Br2F3N12O3 and a molecular weight of 1020.75 g/mol. Its IUPAC name is 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 167570208
• Molecular Formula: C45H47Br2F3N12O3
• Molecular Weight: 1020.75 g/mol
• Exact Mass: 1018.22
• IUPAC Name: 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde
• SMILES: CC1(N)CCN(c2ccc(-c3cc(Br)cn4ncc(C#N)c34)cn2)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2ccc(-c3cc(Br)cn4ncc(C#N)c34)cn2)CC1.O=CC(F)(F)F
• InChI: InChI=1S/C24H27BrN6O2.C19H19BrN6.C2HF3O/c1-23(2,3)33-22(32)29-24(4)7-9-30(10-8-24)20-6-5-16(13-27-20)19-11-18(25)15-31-21(19)17(12-26)14-28-31;1-19(22)4-6-25(7-5-19)17-3-2-13(10-23-17)16-8-15(20)12-26-18(16)14(9-21)11-24-26;3-2(4,5)1-6/h5-6,11,13-15H,7-10H2,1-4H3,(H,29,32);2-3,8,10-12H,4-7,22H2,1H3;1H
• InChIKey: FUMJSRQXNXXZMW-UHFFFAOYSA-N
• XLogP: 9.01
• TPSA: 195.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1020.75
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde (CID 167570208) is 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde is CC1(N)CCN(c2ccc(-c3cc(Br)cn4ncc(C#N)c34)cn2)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2ccc(-c3cc(Br)cn4ncc(C#N)c34)cn2)CC1.O=CC(F)(F)F.

What is the InChIKey of 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde?

The InChIKey is FUMJSRQXNXXZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN6O2.C19H19BrN6.C2HF3O/c1-23(2,3)33-22(32)29-24(4)7-9-30(10-8-24)20-6-5-16(13-27-20)19-11-18(25)15-31-21(19)17(12-26)14-28-31;1-19(22)4-6-25(7-5-19)17-3-2-13(10-23-17)16-8-15(20)12-26-18(16)14(9-21)11-24-26;3-2(4,5)1-6/h5-6,11,13-15H,7-10H2,1-4H3,(H,29,32);2-3,8,10-12H,4-7,22H2,1H3;1H.

What are the key properties of 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde?

4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde has a molecular weight of 1020.75 g/mol, XLogP of 9.01, 5 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-bromopyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[1-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 167570208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).