N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine

C19H24N8S — CID 59503636

About N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine (PubChem CID 59503636) has the molecular formula C19H24N8S and a molecular weight of 396.52 g/mol. Its IUPAC name is N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine
• PubChem CID: 59503636
• Molecular Formula: C19H24N8S
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.18
• IUPAC Name: N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine
• SMILES: Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CNCCN(C)C)cs2)n1
• InChI: InChI=1S/C19H24N8S/c1-13-11-27-16(15-8-22-23-9-15)10-21-19(27)18(24-13)25-17-6-14(12-28-17)7-20-4-5-26(2)3/h6,8-12,20H,4-5,7H2,1-3H3,(H,22,23)(H,24,25)
• InChIKey: QCZDYFODXCPYRV-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 86.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine?

The IUPAC name of N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine (CID 59503636) is N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine.

What is the SMILES notation for N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine?

The canonical SMILES for N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CNCCN(C)C)cs2)n1.

What is the InChIKey of N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine?

The InChIKey is QCZDYFODXCPYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8S/c1-13-11-27-16(15-8-22-23-9-15)10-21-19(27)18(24-13)25-17-6-14(12-28-17)7-20-4-5-26(2)3/h6,8-12,20H,4-5,7H2,1-3H3,(H,22,23)(H,24,25).

What are the key properties of N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine?

N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 396.52 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 59503636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).