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

C23H30N8OS — CID 25145002

IUPAC[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol
SMILESCCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCCC1
InChIInChI=1S/C23H30N8OS/c1-3-30(23(15-32)7-5-4-6-8-23)14-18-9-20(33-29-18)28-21-22-24-12-19(17-10-25-26-11-17)31(22)13-16(2)27-21/h9-13,32H,3-8,14-15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeySKTQHWFPLXLXPV-UHFFFAOYSA-N
MW466.62 g/mol
LogP4.15
Rot. Bonds8

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

[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol (PubChem CID 25145002) has the molecular formula C23H30N8OS and a molecular weight of 466.62 g/mol. Its IUPAC name is [1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol
PubChem CID25145002
Molecular FormulaC23H30N8OS
Molecular Weight466.62 g/mol
Exact Mass466.23
IUPAC Name[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol
SMILESCCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCCC1
InChIInChI=1S/C23H30N8OS/c1-3-30(23(15-32)7-5-4-6-8-23)14-18-9-20(33-29-18)28-21-22-24-12-19(17-10-25-26-11-17)31(22)13-16(2)27-21/h9-13,32H,3-8,14-15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeySKTQHWFPLXLXPV-UHFFFAOYSA-N
XLogP4.15
TPSA107.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of [1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol (CID 25145002) is [1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol is CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCCC1.
What is the InChIKey of [1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol?
The InChIKey is SKTQHWFPLXLXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8OS/c1-3-30(23(15-32)7-5-4-6-8-23)14-18-9-20(33-29-18)28-21-22-24-12-19(17-10-25-26-11-17)31(22)13-16(2)27-21/h9-13,32H,3-8,14-15H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of [1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol?
[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol has a molecular weight of 466.62 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 25145002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).