N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide

C25H34N8O2 — CID 155455871

About N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide

N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide (PubChem CID 155455871) has the molecular formula C25H34N8O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide.

Molecular Properties

• Compound Name: N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide
• PubChem CID: 155455871
• Molecular Formula: C25H34N8O2
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.28
• IUPAC Name: N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide
• SMILES: C=N/C(=N\C=C(/C)N1CCC(C)(N)CC1)c1cc(OCCN2CCOCC2)cn2ncc(C#N)c12
• InChI: InChI=1S/C25H34N8O2/c1-19(32-6-4-25(2,27)5-7-32)16-29-24(28-3)22-14-21(18-33-23(22)20(15-26)17-30-33)35-13-10-31-8-11-34-12-9-31/h14,16-18H,3-13,27H2,1-2H3/b19-16+,29-24-
• InChIKey: GAKNUBFJLLHMIT-MPTLWAPUSA-N
• XLogP: 2.04
• TPSA: 116.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide?

The IUPAC name of N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide (CID 155455871) is N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide.

What is the SMILES notation for N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide?

The canonical SMILES for N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide is C=N/C(=N\C=C(/C)N1CCC(C)(N)CC1)c1cc(OCCN2CCOCC2)cn2ncc(C#N)c12.

What is the InChIKey of N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide?

The InChIKey is GAKNUBFJLLHMIT-MPTLWAPUSA-N. The full InChI is InChI=1S/C25H34N8O2/c1-19(32-6-4-25(2,27)5-7-32)16-29-24(28-3)22-14-21(18-33-23(22)20(15-26)17-30-33)35-13-10-31-8-11-34-12-9-31/h14,16-18H,3-13,27H2,1-2H3/b19-16+,29-24-.

What are the key properties of N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide?

N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide has a molecular weight of 478.60 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide is sourced from PubChem (CID 155455871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).