3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide

C28H33FN10OS — CID 143756298

About 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide

3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide (PubChem CID 143756298) has the molecular formula C28H33FN10OS and a molecular weight of 576.71 g/mol. Its IUPAC name is 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide.

Molecular Properties

• Compound Name: 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide
• PubChem CID: 143756298
• Molecular Formula: C28H33FN10OS
• Molecular Weight: 576.71 g/mol
• Exact Mass: 576.25
• IUPAC Name: 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide
• SMILES: CCn1cc(-c2cnc3c(Nc4cc(CN5CCCCCC5)ns4)nc(C)cn23)cn1.O=CNc1ccncc1F
• InChI: InChI=1S/C22H28N8S.C6H5FN2O/c1-3-29-14-17(11-24-29)19-12-23-22-21(25-16(2)13-30(19)22)26-20-10-18(27-31-20)15-28-8-6-4-5-7-9-28;7-5-3-8-2-1-6(5)9-4-10/h10-14H,3-9,15H2,1-2H3,(H,25,26);1-4H,(H,8,9,10)
• InChIKey: XBZNMDURSLZBMN-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 118.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	576.71
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
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 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide?

The IUPAC name of 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide (CID 143756298) is 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide.

What is the SMILES notation for 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide?

The canonical SMILES for 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide is CCn1cc(-c2cnc3c(Nc4cc(CN5CCCCCC5)ns4)nc(C)cn23)cn1.O=CNc1ccncc1F.

What is the InChIKey of 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide?

The InChIKey is XBZNMDURSLZBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8S.C6H5FN2O/c1-3-29-14-17(11-24-29)19-12-23-22-21(25-16(2)13-30(19)22)26-20-10-18(27-31-20)15-28-8-6-4-5-7-9-28;7-5-3-8-2-1-6(5)9-4-10/h10-14H,3-9,15H2,1-2H3,(H,25,26);1-4H,(H,8,9,10).

What are the key properties of 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide?

3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide has a molecular weight of 576.71 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(azepan-1-ylmethyl)-N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-(3-fluoro-4-pyridinyl)formamide is sourced from PubChem (CID 143756298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).