N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide

C26H25F2N9OS — CID 59503760

IUPACN-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(Nc2cnc(CN3CCCC3)s2)n1
InChIInChI=1S/C26H25F2N9OS/c1-16-12-37-20(17-9-31-36(13-17)14-21(38)33-19-6-4-5-18(27)24(19)28)10-30-26(37)25(32-16)34-22-11-29-23(39-22)15-35-7-2-3-8-35/h4-6,9-13H,2-3,7-8,14-15H2,1H3,(H,32,34)(H,33,38)
InChIKeyIZKGLKSSDAXRIE-UHFFFAOYSA-N
MW549.61 g/mol
LogP4.61
Rot. Bonds8

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

N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 59503760) has the molecular formula C26H25F2N9OS and a molecular weight of 549.61 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
PubChem CID59503760
Molecular FormulaC26H25F2N9OS
Molecular Weight549.61 g/mol
Exact Mass549.19
IUPAC NameN-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(Nc2cnc(CN3CCCC3)s2)n1
InChIInChI=1S/C26H25F2N9OS/c1-16-12-37-20(17-9-31-36(13-17)14-21(38)33-19-6-4-5-18(27)24(19)28)10-30-26(37)25(32-16)34-22-11-29-23(39-22)15-35-7-2-3-8-35/h4-6,9-13H,2-3,7-8,14-15H2,1H3,(H,32,34)(H,33,38)
InChIKeyIZKGLKSSDAXRIE-UHFFFAOYSA-N
XLogP4.61
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.61
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide (CID 59503760) is N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide is Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(Nc2cnc(CN3CCCC3)s2)n1.
What is the InChIKey of N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is IZKGLKSSDAXRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N9OS/c1-16-12-37-20(17-9-31-36(13-17)14-21(38)33-19-6-4-5-18(27)24(19)28)10-30-26(37)25(32-16)34-22-11-29-23(39-22)15-35-7-2-3-8-35/h4-6,9-13H,2-3,7-8,14-15H2,1H3,(H,32,34)(H,33,38).
What are the key properties of N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 549.61 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 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-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 59503760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).