N-(3-hydroxy-4-pyridinyl)-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

C27H30N10O2S — CID 59503488

IUPACN-(3-hydroxy-4-pyridinyl)-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
SMILESCc1cn2c(-c3cnn(CC(=O)Nc4ccncc4O)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/C27H30N10O2S/c1-17-4-3-7-35(12-17)15-20-8-25(40-34-20)33-26-27-29-10-22(37(27)13-18(2)31-26)19-9-30-36(14-19)16-24(39)32-21-5-6-28-11-23(21)38/h5-6,8-11,13-14,17,38H,3-4,7,12,15-16H2,1-2H3,(H,31,33)(H,28,32,39)
InChIKeyLSVRKVVHCSGSCC-UHFFFAOYSA-N
MW558.67 g/mol
LogP4.07
Rot. Bonds8

About N-(3-hydroxy-4-pyridinyl)-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

N-(3-hydroxy-4-pyridinyl)-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 (PubChem CID 59503488) has the molecular formula C27H30N10O2S and a molecular weight of 558.67 g/mol. Its IUPAC name is N-(3-hydroxy-4-pyridinyl)-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.

Molecular Properties

Compound NameN-(3-hydroxy-4-pyridinyl)-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
PubChem CID59503488
Molecular FormulaC27H30N10O2S
Molecular Weight558.67 g/mol
Exact Mass558.23
IUPAC NameN-(3-hydroxy-4-pyridinyl)-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
SMILESCc1cn2c(-c3cnn(CC(=O)Nc4ccncc4O)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/C27H30N10O2S/c1-17-4-3-7-35(12-17)15-20-8-25(40-34-20)33-26-27-29-10-22(37(27)13-18(2)31-26)19-9-30-36(14-19)16-24(39)32-21-5-6-28-11-23(21)38/h5-6,8-11,13-14,17,38H,3-4,7,12,15-16H2,1-2H3,(H,31,33)(H,28,32,39)
InChIKeyLSVRKVVHCSGSCC-UHFFFAOYSA-N
XLogP4.07
TPSA138.39 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.67
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-pyridinyl)-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?
The IUPAC name of N-(3-hydroxy-4-pyridinyl)-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 59503488) is N-(3-hydroxy-4-pyridinyl)-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.
What is the SMILES notation for N-(3-hydroxy-4-pyridinyl)-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?
The canonical SMILES for N-(3-hydroxy-4-pyridinyl)-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 is Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4O)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.
What is the InChIKey of N-(3-hydroxy-4-pyridinyl)-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?
The InChIKey is LSVRKVVHCSGSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N10O2S/c1-17-4-3-7-35(12-17)15-20-8-25(40-34-20)33-26-27-29-10-22(37(27)13-18(2)31-26)19-9-30-36(14-19)16-24(39)32-21-5-6-28-11-23(21)38/h5-6,8-11,13-14,17,38H,3-4,7,12,15-16H2,1-2H3,(H,31,33)(H,28,32,39).
What are the key properties of N-(3-hydroxy-4-pyridinyl)-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?
N-(3-hydroxy-4-pyridinyl)-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 has a molecular weight of 558.67 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-pyridinyl)-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 is sourced from PubChem (CID 59503488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).