N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone

C83H93F4N27O4S3 — CID 162229942

IUPACN-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone
SMILESCc1cn2c(-c3cnn(CC(=O)N4CCC(O)CC4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(F)c(F)c4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(F)cc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/2C28H29F2N9OS.C27H35N9O2S/c1-18-14-39-24(20-12-33-38(15-20)17-25(40)31-11-19-5-6-21(29)9-23(19)30)13-32-28(39)27(34-18)35-26-10-22(36-41-26)16-37-7-3-2-4-8-37;1-18-14-39-24(20-12-33-38(15-20)17-25(40)31-11-19-5-6-22(29)23(30)9-19)13-32-28(39)27(34-18)35-26-10-21(36-41-26)16-37-7-3-2-4-8-37;1-18-4-3-7-33(13-18)16-21-10-24(39-32-21)31-26-27-28-12-23(36(27)14-19(2)30-26)20-11-29-35(15-20)17-25(38)34-8-5-22(37)6-9-34/h2*5-6,9-10,12-15H,2-4,7-8,11,16-17H2,1H3,(H,31,40)(H,34,35);10-12,14-15,18,22,37H,3-9,13,16-17H2,1-2H3,(H,30,31)
InChIKeyZVHBXBARWJQDNY-UHFFFAOYSA-N
MW1705.03 g/mol
LogP12.68
Rot. Bonds25

About N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone

N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone (PubChem CID 162229942) has the molecular formula C83H93F4N27O4S3 and a molecular weight of 1705.03 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone
PubChem CID162229942
Molecular FormulaC83H93F4N27O4S3
Molecular Weight1705.03 g/mol
Exact Mass1703.70
IUPAC NameN-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone
SMILESCc1cn2c(-c3cnn(CC(=O)N4CCC(O)CC4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(F)c(F)c4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(F)cc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/2C28H29F2N9OS.C27H35N9O2S/c1-18-14-39-24(20-12-33-38(15-20)17-25(40)31-11-19-5-6-21(29)9-23(19)30)13-32-28(39)27(34-18)35-26-10-22(36-41-26)16-37-7-3-2-4-8-37;1-18-14-39-24(20-12-33-38(15-20)17-25(40)31-11-19-5-6-22(29)23(30)9-19)13-32-28(39)27(34-18)35-26-10-21(36-41-26)16-37-7-3-2-4-8-37;1-18-4-3-7-33(13-18)16-21-10-24(39-32-21)31-26-27-28-12-23(36(27)14-19(2)30-26)20-11-29-35(15-20)17-25(38)34-8-5-22(37)6-9-34/h2*5-6,9-10,12-15H,2-4,7-8,11,16-17H2,1H3,(H,31,40)(H,34,35);10-12,14-15,18,22,37H,3-9,13,16-17H2,1-2H3,(H,30,31)
InChIKeyZVHBXBARWJQDNY-UHFFFAOYSA-N
XLogP12.68
TPSA327.25 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001705.03
LogP ≤ 512.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone 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-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone?
The IUPAC name of N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone (CID 162229942) is N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone.
What is the SMILES notation for N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone?
The canonical SMILES for N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone is Cc1cn2c(-c3cnn(CC(=O)N4CCC(O)CC4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(F)c(F)c4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(F)cc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone?
The InChIKey is ZVHBXBARWJQDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H29F2N9OS.C27H35N9O2S/c1-18-14-39-24(20-12-33-38(15-20)17-25(40)31-11-19-5-6-21(29)9-23(19)30)13-32-28(39)27(34-18)35-26-10-22(36-41-26)16-37-7-3-2-4-8-37;1-18-14-39-24(20-12-33-38(15-20)17-25(40)31-11-19-5-6-22(29)23(30)9-19)13-32-28(39)27(34-18)35-26-10-21(36-41-26)16-37-7-3-2-4-8-37;1-18-4-3-7-33(13-18)16-21-10-24(39-32-21)31-26-27-28-12-23(36(27)14-19(2)30-26)20-11-29-35(15-20)17-25(38)34-8-5-22(37)6-9-34/h2*5-6,9-10,12-15H,2-4,7-8,11,16-17H2,1H3,(H,31,40)(H,34,35);10-12,14-15,18,22,37H,3-9,13,16-17H2,1-2H3,(H,30,31).
What are the key properties of N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone?
N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone has a molecular weight of 1705.03 g/mol, XLogP of 12.68, 25 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)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;N-[(3,4-difluorophenyl)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;1-(4-hydroxypiperidin-1-yl)-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]ethanone is sourced from PubChem (CID 162229942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).