N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide

C25H22F2N8O2 — CID 59503826

IUPACN-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(NC(CO)c2cccnc2)n1
InChIInChI=1S/C25H22F2N8O2/c1-15-11-35-21(10-29-25(35)24(31-15)33-20(14-36)16-4-3-7-28-8-16)17-9-30-34(12-17)13-22(37)32-19-6-2-5-18(26)23(19)27/h2-12,20,36H,13-14H2,1H3,(H,31,33)(H,32,37)
InChIKeyVECBBHLVSVKSEV-UHFFFAOYSA-N
MW504.50 g/mol
LogP3.36
Rot. Bonds8

About N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide

N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 59503826) has the molecular formula C25H22F2N8O2 and a molecular weight of 504.50 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
PubChem CID59503826
Molecular FormulaC25H22F2N8O2
Molecular Weight504.50 g/mol
Exact Mass504.18
IUPAC NameN-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(NC(CO)c2cccnc2)n1
InChIInChI=1S/C25H22F2N8O2/c1-15-11-35-21(10-29-25(35)24(31-15)33-20(14-36)16-4-3-7-28-8-16)17-9-30-34(12-17)13-22(37)32-19-6-2-5-18(26)23(19)27/h2-12,20,36H,13-14H2,1H3,(H,31,33)(H,32,37)
InChIKeyVECBBHLVSVKSEV-UHFFFAOYSA-N
XLogP3.36
TPSA122.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.50
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide (CID 59503826) is N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide is Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(NC(CO)c2cccnc2)n1.
What is the InChIKey of N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is VECBBHLVSVKSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N8O2/c1-15-11-35-21(10-29-25(35)24(31-15)33-20(14-36)16-4-3-7-28-8-16)17-9-30-34(12-17)13-22(37)32-19-6-2-5-18(26)23(19)27/h2-12,20,36H,13-14H2,1H3,(H,31,33)(H,32,37).
What are the key properties of N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 504.50 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-[4-[8-[(2-hydroxy-1-pyridin-3-ylethyl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 59503826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).