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

C20H24N8OS — CID 59503768

IUPAC[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC(CO)C3)ns2)n1
InChIInChI=1S/C20H24N8OS/c1-13-9-28-17(15-6-22-23-7-15)8-21-20(28)19(24-13)25-18-5-16(26-30-18)11-27-4-2-3-14(10-27)12-29/h5-9,14,29H,2-4,10-12H2,1H3,(H,22,23)(H,24,25)
InChIKeyFZNWRRXOQLUKPR-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.83
Rot. Bonds6

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

[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol (PubChem CID 59503768) has the molecular formula C20H24N8OS and a molecular weight of 424.53 g/mol. Its IUPAC name is [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol
PubChem CID59503768
Molecular FormulaC20H24N8OS
Molecular Weight424.53 g/mol
Exact Mass424.18
IUPAC Name[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC(CO)C3)ns2)n1
InChIInChI=1S/C20H24N8OS/c1-13-9-28-17(15-6-22-23-7-15)8-21-20(28)19(24-13)25-18-5-16(26-30-18)11-27-4-2-3-14(10-27)12-29/h5-9,14,29H,2-4,10-12H2,1H3,(H,22,23)(H,24,25)
InChIKeyFZNWRRXOQLUKPR-UHFFFAOYSA-N
XLogP2.83
TPSA107.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol (CID 59503768) is [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC(CO)C3)ns2)n1.
What is the InChIKey of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is FZNWRRXOQLUKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8OS/c1-13-9-28-17(15-6-22-23-7-15)8-21-20(28)19(24-13)25-18-5-16(26-30-18)11-27-4-2-3-14(10-27)12-29/h5-9,14,29H,2-4,10-12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol?
[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 424.53 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 59503768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).