N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide

C28H33FN10OS — CID 143756173

About N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide

N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide (PubChem CID 143756173) has the molecular formula C28H33FN10OS and a molecular weight of 576.71 g/mol. Its IUPAC name is N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide
• PubChem CID: 143756173
• Molecular Formula: C28H33FN10OS
• Molecular Weight: 576.71 g/mol
• Exact Mass: 576.25
• IUPAC Name: N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide
• SMILES: CCCCN(CC)Cc1cc(Nc2nc(C)cn3c(-c4cnn(CCNC(=O)c5ccncc5F)c4)cnc23)sn1
• InChI: InChI=1S/C28H33FN10OS/c1-4-6-10-37(5-2)18-21-12-25(41-36-21)35-26-27-32-15-24(39(27)16-19(3)34-26)20-13-33-38(17-20)11-9-31-28(40)22-7-8-30-14-23(22)29/h7-8,12-17H,4-6,9-11,18H2,1-3H3,(H,31,40)(H,34,35)
• InChIKey: IPYRONXCDBYIIO-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 118.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.71
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide?

The IUPAC name of N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide (CID 143756173) is N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide.

What is the SMILES notation for N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide?

The canonical SMILES for N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide is CCCCN(CC)Cc1cc(Nc2nc(C)cn3c(-c4cnn(CCNC(=O)c5ccncc5F)c4)cnc23)sn1.

What is the InChIKey of N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide?

The InChIKey is IPYRONXCDBYIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN10OS/c1-4-6-10-37(5-2)18-21-12-25(41-36-21)35-26-27-32-15-24(39(27)16-19(3)34-26)20-13-33-38(17-20)11-9-31-28(40)22-7-8-30-14-23(22)29/h7-8,12-17H,4-6,9-11,18H2,1-3H3,(H,31,40)(H,34,35).

What are the key properties of N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide?

N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 576.71 g/mol, XLogP of 4.69, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 143756173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).