N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide

C26H27FN10OS — CID 59503521

IUPACN-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide
SMILESCc1cn2c(-c3cn(CC(=O)Nc4ccncc4F)cn3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C26H27FN10OS/c1-17-12-37-22(21-14-36(16-30-21)15-23(38)32-20-5-6-28-10-19(20)27)11-29-26(37)25(31-17)33-24-9-18(34-39-24)13-35-7-3-2-4-8-35/h5-6,9-12,14,16H,2-4,7-8,13,15H2,1H3,(H,31,33)(H,28,32,38)
InChIKeyMKZRARGMVAPUQL-UHFFFAOYSA-N
MW546.64 g/mol
LogP4.26
Rot. Bonds8

About N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide

N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide (PubChem CID 59503521) has the molecular formula C26H27FN10OS and a molecular weight of 546.64 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide
PubChem CID59503521
Molecular FormulaC26H27FN10OS
Molecular Weight546.64 g/mol
Exact Mass546.21
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide
SMILESCc1cn2c(-c3cn(CC(=O)Nc4ccncc4F)cn3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C26H27FN10OS/c1-17-12-37-22(21-14-36(16-30-21)15-23(38)32-20-5-6-28-10-19(20)27)11-29-26(37)25(31-17)33-24-9-18(34-39-24)13-35-7-3-2-4-8-35/h5-6,9-12,14,16H,2-4,7-8,13,15H2,1H3,(H,31,33)(H,28,32,38)
InChIKeyMKZRARGMVAPUQL-UHFFFAOYSA-N
XLogP4.26
TPSA118.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.64
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide (CID 59503521) is N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide is Cc1cn2c(-c3cn(CC(=O)Nc4ccncc4F)cn3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is MKZRARGMVAPUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN10OS/c1-17-12-37-22(21-14-36(16-30-21)15-23(38)32-20-5-6-28-10-19(20)27)11-29-26(37)25(31-17)33-24-9-18(34-39-24)13-35-7-3-2-4-8-35/h5-6,9-12,14,16H,2-4,7-8,13,15H2,1H3,(H,31,33)(H,28,32,38).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide?
N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 546.64 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 59503521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).