N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide

C27H34N10OS — CID 143756370

About N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide

N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide (PubChem CID 143756370) has the molecular formula C27H34N10OS and a molecular weight of 546.71 g/mol. Its IUPAC name is N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide.

Molecular Properties

• Compound Name: N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide
• PubChem CID: 143756370
• Molecular Formula: C27H34N10OS
• Molecular Weight: 546.71 g/mol
• Exact Mass: 546.26
• IUPAC Name: N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide
• SMILES: CCC(C)CNCc1cc(Nc2nc(C)cn3c(-c4cnn(CC)c4)cnc23)sn1.O=CNc1ccccn1
• InChI: InChI=1S/C21H28N8S.C6H6N2O/c1-5-14(3)8-22-10-17-7-19(30-27-17)26-20-21-23-11-18(29(21)12-15(4)25-20)16-9-24-28(6-2)13-16;9-5-8-6-3-1-2-4-7-6/h7,9,11-14,22H,5-6,8,10H2,1-4H3,(H,25,26);1-5H,(H,7,8,9)
• InChIKey: AOYCULHGFJFQDZ-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 126.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.71
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide?

The IUPAC name of N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide (CID 143756370) is N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide.

What is the SMILES notation for N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide?

The canonical SMILES for N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide is CCC(C)CNCc1cc(Nc2nc(C)cn3c(-c4cnn(CC)c4)cnc23)sn1.O=CNc1ccccn1.

What is the InChIKey of N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide?

The InChIKey is AOYCULHGFJFQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8S.C6H6N2O/c1-5-14(3)8-22-10-17-7-19(30-27-17)26-20-21-23-11-18(29(21)12-15(4)25-20)16-9-24-28(6-2)13-16;9-5-8-6-3-1-2-4-7-6/h7,9,11-14,22H,5-6,8,10H2,1-4H3,(H,25,26);1-5H,(H,7,8,9).

What are the key properties of N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide?

N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide has a molecular weight of 546.71 g/mol, XLogP of 4.91, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(2-methylbutylamino)methyl]-1,2-thiazol-5-amine;N-pyridin-2-ylformamide is sourced from PubChem (CID 143756370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).