[5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

C22H17F2N9OS — CID 143755973

IUPAC[5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
SMILESCc1cn2c(-c3cnn(Cc4nc5c(F)c(F)ccc5[nH]4)c3)cnc2c(Nc2cc(CO)ns2)n1
InChIInChI=1S/C22H17F2N9OS/c1-11-7-33-16(6-25-22(33)21(27-11)30-18-4-13(10-34)31-35-18)12-5-26-32(8-12)9-17-28-15-3-2-14(23)19(24)20(15)29-17/h2-8,34H,9-10H2,1H3,(H,27,30)(H,28,29)
InChIKeyTZWHVJOSRXWAGL-UHFFFAOYSA-N
MW493.50 g/mol
LogP3.80
Rot. Bonds6

About [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

[5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (PubChem CID 143755973) has the molecular formula C22H17F2N9OS and a molecular weight of 493.50 g/mol. Its IUPAC name is [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
PubChem CID143755973
Molecular FormulaC22H17F2N9OS
Molecular Weight493.50 g/mol
Exact Mass493.12
IUPAC Name[5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
SMILESCc1cn2c(-c3cnn(Cc4nc5c(F)c(F)ccc5[nH]4)c3)cnc2c(Nc2cc(CO)ns2)n1
InChIInChI=1S/C22H17F2N9OS/c1-11-7-33-16(6-25-22(33)21(27-11)30-18-4-13(10-34)31-35-18)12-5-26-32(8-12)9-17-28-15-3-2-14(23)19(24)20(15)29-17/h2-8,34H,9-10H2,1H3,(H,27,30)(H,28,29)
InChIKeyTZWHVJOSRXWAGL-UHFFFAOYSA-N
XLogP3.80
TPSA121.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol with MolForge

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Related Compounds

N-[3-[1-(1H-benzimidazol-2-ylmethyl)pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 59503644
[6-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]-2-pyridinyl]methanol
CID 145968638
4-[[5-(1-Methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol
CID 135129205
N-(2,3-difluorophenyl)-2-[4-[8-[[3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503478
N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 59503489
3-N-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methyl-8-N-[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]imidazo[1,2-a]pyrazine-3,8-diamine
CID 59503522
2-[1-[[5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 59503556
N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[ethyl(propan-2-yl)amino]methyl]-1,2-thiazol-5-amine
CID 59503560
3-(azepan-1-ylmethyl)-N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 59503567
N-(2,3-difluorophenyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503573
N-[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-thiazol-5-amine
CID 59503616
[5-[[3-[1-[[4,5-Difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol
CID 59503683

Frequently Asked Questions

What is the IUPAC name of [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?
The IUPAC name of [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (CID 143755973) is [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.
What is the SMILES notation for [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?
The canonical SMILES for [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is Cc1cn2c(-c3cnn(Cc4nc5c(F)c(F)ccc5[nH]4)c3)cnc2c(Nc2cc(CO)ns2)n1.
What is the InChIKey of [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?
The InChIKey is TZWHVJOSRXWAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N9OS/c1-11-7-33-16(6-25-22(33)21(27-11)30-18-4-13(10-34)31-35-18)12-5-26-32(8-12)9-17-28-15-3-2-14(23)19(24)20(15)29-17/h2-8,34H,9-10H2,1H3,(H,27,30)(H,28,29).
What are the key properties of [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?
[5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol has a molecular weight of 493.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 143755973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).