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-[(2-methoxyphenyl)methyl]formamide

C31H39N9O2S — CID 143757020

About 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-[(2-methoxyphenyl)methyl]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-[(2-methoxyphenyl)methyl]formamide (PubChem CID 143757020) has the molecular formula C31H39N9O2S and a molecular weight of 601.78 g/mol. Its IUPAC name is 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-[(2-methoxyphenyl)methyl]formamide.

Molecular Properties

• Compound Name: 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-[(2-methoxyphenyl)methyl]formamide
• PubChem CID: 143757020
• Molecular Formula: C31H39N9O2S
• Molecular Weight: 601.78 g/mol
• Exact Mass: 601.29
• IUPAC Name: 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-[(2-methoxyphenyl)methyl]formamide
• SMILES: CCn1cc(-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cn1.COc1ccccc1CNC=O
• InChI: InChI=1S/C22H28N8S.C9H11NO2/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;1-12-9-5-3-2-4-8(9)6-10-7-11/h8-10,12-13,15H,4-7,11,14H2,1-3H3,(H,25,26);2-5,7H,6H2,1H3,(H,10,11)
• InChIKey: ZQSHVKWMMWHAMH-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 114.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	601.78
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 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-[(2-methoxyphenyl)methyl]formamide?

The IUPAC name of 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-[(2-methoxyphenyl)methyl]formamide (CID 143757020) is 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-[(2-methoxyphenyl)methyl]formamide.

What is the SMILES notation for 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-[(2-methoxyphenyl)methyl]formamide?

The canonical SMILES for 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-[(2-methoxyphenyl)methyl]formamide is CCn1cc(-c2cnc3c(Nc4cc(CN5CCCC(C)C5)ns4)nc(C)cn23)cn1.COc1ccccc1CNC=O.

What is the InChIKey of 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-[(2-methoxyphenyl)methyl]formamide?

The InChIKey is ZQSHVKWMMWHAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8S.C9H11NO2/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;1-12-9-5-3-2-4-8(9)6-10-7-11/h8-10,12-13,15H,4-7,11,14H2,1-3H3,(H,25,26);2-5,7H,6H2,1H3,(H,10,11).

What are the key properties of 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-[(2-methoxyphenyl)methyl]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-[(2-methoxyphenyl)methyl]formamide has a molecular weight of 601.78 g/mol, XLogP of 5.29, 10 rotatable bonds, 2 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-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine;N-[(2-methoxyphenyl)methyl]formamide is sourced from PubChem (CID 143757020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).