N-(4-chlorophenyl)formamide;N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine

C29H34ClN9OS — CID 143756047

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

N-(4-chlorophenyl)formamide;N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine (PubChem CID 143756047) has the molecular formula C29H34ClN9OS and a molecular weight of 592.17 g/mol. Its IUPAC name is N-(4-chlorophenyl)formamide;N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)formamide;N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
• PubChem CID: 143756047
• Molecular Formula: C29H34ClN9OS
• Molecular Weight: 592.17 g/mol
• Exact Mass: 591.23
• IUPAC Name: N-(4-chlorophenyl)formamide;N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
• SMILES: CCn1cc(-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cn1.O=CNc1ccc(Cl)cc1
• InChI: InChI=1S/C22H28N8S.C7H6ClNO/c1-4-29-13-17(9-24-29)19-10-23-22-21(25-16(3)12-30(19)22)26-20-8-18(27-31-20)14-28-7-5-6-15(2)11-28;8-6-1-3-7(4-2-6)9-5-10/h8-10,12-13,15H,4-7,11,14H2,1-3H3,(H,25,26);1-5H,(H,9,10)
• InChIKey: OITDZBNVUNVYNV-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 105.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.17
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(4-chlorophenyl)formamide;N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine (CID 143756047) is N-(4-chlorophenyl)formamide;N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine.

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

The canonical SMILES for N-(4-chlorophenyl)formamide;N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine is CCn1cc(-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cn1.O=CNc1ccc(Cl)cc1.

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

The InChIKey is OITDZBNVUNVYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8S.C7H6ClNO/c1-4-29-13-17(9-24-29)19-10-23-22-21(25-16(3)12-30(19)22)26-20-8-18(27-31-20)14-28-7-5-6-15(2)11-28;8-6-1-3-7(4-2-6)9-5-10/h8-10,12-13,15H,4-7,11,14H2,1-3H3,(H,25,26);1-5H,(H,9,10).

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

N-(4-chlorophenyl)formamide;N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine has a molecular weight of 592.17 g/mol, XLogP of 6.26, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)formamide;N-[3-(1-ethylpyrazol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 143756047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).