N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide

C28H31F2N9OS — CID 143756300

IUPACN-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide
SMILESCc1cn2c(C3=CN(CC(=O)Nc4cccc(F)c4F)NC3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1
InChIInChI=1S/C28H31F2N9OS/c1-17-5-4-8-37(12-17)15-20-9-25(41-36-20)35-27-28-31-11-23(39(28)13-18(2)33-27)19-10-32-38(14-19)16-24(40)34-22-7-3-6-21(29)26(22)30/h3,6-7,9,11,13-14,17,32H,4-5,8,10,12,15-16H2,1-2H3,(H,33,35)(H,34,40)/t17-/m1/s1
InChIKeyBAHSSMAEJUDMBC-QGZVFWFLSA-N
MW579.68 g/mol
LogP4.55
Rot. Bonds8

About N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide

N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide (PubChem CID 143756300) has the molecular formula C28H31F2N9OS and a molecular weight of 579.68 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide
PubChem CID143756300
Molecular FormulaC28H31F2N9OS
Molecular Weight579.68 g/mol
Exact Mass579.23
IUPAC NameN-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide
SMILESCc1cn2c(C3=CN(CC(=O)Nc4cccc(F)c4F)NC3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1
InChIInChI=1S/C28H31F2N9OS/c1-17-5-4-8-37(12-17)15-20-9-25(41-36-20)35-27-28-31-11-23(39(28)13-18(2)33-27)19-10-32-38(14-19)16-24(40)34-22-7-3-6-21(29)26(22)30/h3,6-7,9,11,13-14,17,32H,4-5,8,10,12,15-16H2,1-2H3,(H,33,35)(H,34,40)/t17-/m1/s1
InChIKeyBAHSSMAEJUDMBC-QGZVFWFLSA-N
XLogP4.55
TPSA102.72 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.68
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide with MolForge

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Related Compounds

3-(1-{2-[(3-Fluoropyridinium-4-Yl)amino]-2-Oxoethyl}-1h-Pyrazol-4-Yl)-6-Methyl-8-[(3-{[(1r,3r)-3-Methylpiperidinium-1-Yl]methyl}-1,2-Thiazol-5-Yl)amino]imidazo[1,2-A]pyrazin-1-Ium
CID 135566615
3-[(3-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25145424
3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25145568
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 44177727
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 44177837
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 44177838
N-[[3-(dimethylamino)phenyl]methyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 44177956
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-pyridin-2-ylacetamide
CID 44178067
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-pyridin-3-ylacetamide
CID 44178068
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-pyridin-4-ylacetamide
CID 44178069
N-[(2-fluorophenyl)methyl]-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 44178070
N-benzyl-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503456

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide (CID 143756300) is N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide is Cc1cn2c(C3=CN(CC(=O)Nc4cccc(F)c4F)NC3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1.
What is the InChIKey of N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide?
The InChIKey is BAHSSMAEJUDMBC-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H31F2N9OS/c1-17-5-4-8-37(12-17)15-20-9-25(41-36-20)35-27-28-31-11-23(39(28)13-18(2)33-27)19-10-32-38(14-19)16-24(40)34-22-7-3-6-21(29)26(22)30/h3,6-7,9,11,13-14,17,32H,4-5,8,10,12,15-16H2,1-2H3,(H,33,35)(H,34,40)/t17-/m1/s1.
What are the key properties of N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide?
N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide has a molecular weight of 579.68 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide is sourced from PubChem (CID 143756300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).