[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]cyclopentyl]methanol

C22H28N8OS — CID 25145003

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]cyclopentyl]methanol
SMILESCCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCC1
InChIInChI=1S/C22H28N8OS/c1-3-29(22(14-31)6-4-5-7-22)13-17-8-19(32-28-17)27-20-21-23-11-18(16-9-24-25-10-16)30(21)12-15(2)26-20/h8-12,31H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyJYTGUZKEKINGRV-UHFFFAOYSA-N
MW452.59 g/mol
LogP3.75
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]cyclopentyl]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]cyclopentyl]methanol (PubChem CID 25145003) has the molecular formula C22H28N8OS and a molecular weight of 452.59 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]cyclopentyl]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]cyclopentyl]methanol
PubChem CID25145003
Molecular FormulaC22H28N8OS
Molecular Weight452.59 g/mol
Exact Mass452.21
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]cyclopentyl]methanol
SMILESCCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCC1
InChIInChI=1S/C22H28N8OS/c1-3-29(22(14-31)6-4-5-7-22)13-17-8-19(32-28-17)27-20-21-23-11-18(16-9-24-25-10-16)30(21)12-15(2)26-20/h8-12,31H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyJYTGUZKEKINGRV-UHFFFAOYSA-N
XLogP3.75
TPSA107.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 53.75
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]cyclopentyl]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]cyclopentyl]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]cyclopentyl]methanol (CID 25145003) 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]cyclopentyl]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]cyclopentyl]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]cyclopentyl]methanol is CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCC1.
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]cyclopentyl]methanol?
The InChIKey is JYTGUZKEKINGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8OS/c1-3-29(22(14-31)6-4-5-7-22)13-17-8-19(32-28-17)27-20-21-23-11-18(16-9-24-25-10-16)30(21)12-15(2)26-20/h8-12,31H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27).
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]cyclopentyl]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]cyclopentyl]methanol has a molecular weight of 452.59 g/mol, XLogP of 3.75, 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]cyclopentyl]methanol is sourced from PubChem (CID 25145003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).