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]thiophen-2-yl]acetamide

C27H27FN8OS2 — CID 59503476

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]thiophen-2-yl]acetamide
SMILESCc1cn2c(-c3csc(CC(=O)Nc4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C27H27FN8OS2/c1-17-14-36-23(18-9-20(38-16-18)11-24(37)32-22-5-6-29-12-21(22)28)13-30-27(36)26(31-17)33-25-10-19(34-39-25)15-35-7-3-2-4-8-35/h5-6,9-10,12-14,16H,2-4,7-8,11,15H2,1H3,(H,31,33)(H,29,32,37)
InChIKeyQLESYALPBMNKPN-UHFFFAOYSA-N
MW562.70 g/mol
LogP5.67
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]thiophen-2-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]thiophen-2-yl]acetamide (PubChem CID 59503476) has the molecular formula C27H27FN8OS2 and a molecular weight of 562.70 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]thiophen-2-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]thiophen-2-yl]acetamide
PubChem CID59503476
Molecular FormulaC27H27FN8OS2
Molecular Weight562.70 g/mol
Exact Mass562.17
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]thiophen-2-yl]acetamide
SMILESCc1cn2c(-c3csc(CC(=O)Nc4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C27H27FN8OS2/c1-17-14-36-23(18-9-20(38-16-18)11-24(37)32-22-5-6-29-12-21(22)28)13-30-27(36)26(31-17)33-25-10-19(34-39-25)15-35-7-3-2-4-8-35/h5-6,9-10,12-14,16H,2-4,7-8,11,15H2,1H3,(H,31,33)(H,29,32,37)
InChIKeyQLESYALPBMNKPN-UHFFFAOYSA-N
XLogP5.67
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.70
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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]thiophen-2-yl]acetamide with MolForge

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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]thiophen-2-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]thiophen-2-yl]acetamide (CID 59503476) 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]thiophen-2-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]thiophen-2-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]thiophen-2-yl]acetamide is Cc1cn2c(-c3csc(CC(=O)Nc4ccncc4F)c3)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]thiophen-2-yl]acetamide?
The InChIKey is QLESYALPBMNKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN8OS2/c1-17-14-36-23(18-9-20(38-16-18)11-24(37)32-22-5-6-29-12-21(22)28)13-30-27(36)26(31-17)33-25-10-19(34-39-25)15-35-7-3-2-4-8-35/h5-6,9-10,12-14,16H,2-4,7-8,11,15H2,1H3,(H,31,33)(H,29,32,37).
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]thiophen-2-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]thiophen-2-yl]acetamide has a molecular weight of 562.70 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 10 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]thiophen-2-yl]acetamide is sourced from PubChem (CID 59503476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).