acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine

C23H30F2N8O — CID 170576975

About acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine

acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 170576975) has the molecular formula C23H30F2N8O and a molecular weight of 472.54 g/mol. Its IUPAC name is acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 170576975
• Molecular Formula: C23H30F2N8O
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.25
• IUPAC Name: acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CC=O.CNc1cc2c(cn1)c(N1CCC(N3CCCC3)C1)nn2-c1cncc(C(C)(F)F)n1
• InChI: InChI=1S/C21H26F2N8.C2H4O/c1-21(22,23)17-11-25-12-19(27-17)31-16-9-18(24-2)26-10-15(16)20(28-31)30-8-5-14(13-30)29-6-3-4-7-29;1-2-3/h9-12,14H,3-8,13H2,1-2H3,(H,24,26);2H,1H3
• InChIKey: QCLQIHOWLHKDNY-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine?

The IUPAC name of acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 170576975) is acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine.

What is the SMILES notation for acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine?

The canonical SMILES for acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine is CC=O.CNc1cc2c(cn1)c(N1CCC(N3CCCC3)C1)nn2-c1cncc(C(C)(F)F)n1.

What is the InChIKey of acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine?

The InChIKey is QCLQIHOWLHKDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N8.C2H4O/c1-21(22,23)17-11-25-12-19(27-17)31-16-9-18(24-2)26-10-15(16)20(28-31)30-8-5-14(13-30)29-6-3-4-7-29;1-2-3/h9-12,14H,3-8,13H2,1-2H3,(H,24,26);2H,1H3.

What are the key properties of acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine?

acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 472.54 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 170576975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).