3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C22H28N8OS — CID 25144869

IUPAC3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCCOC[C@H]1CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C22H28N8OS/c1-3-31-14-18-6-4-5-7-29(18)13-17-8-20(32-28-17)27-21-22-23-11-19(16-9-24-25-10-16)30(22)12-15(2)26-21/h8-12,18H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27)/t18-/m1/s1
InChIKeyXMVZZEFBHYHVOH-GOSISDBHSA-N
MW452.59 g/mol
LogP4.02
Rot. Bonds8

About 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25144869) has the molecular formula C22H28N8OS and a molecular weight of 452.59 g/mol. Its IUPAC name is 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25144869
Molecular FormulaC22H28N8OS
Molecular Weight452.59 g/mol
Exact Mass452.21
IUPAC Name3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCCOC[C@H]1CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C22H28N8OS/c1-3-31-14-18-6-4-5-7-29(18)13-17-8-20(32-28-17)27-21-22-23-11-19(16-9-24-25-10-16)30(22)12-15(2)26-21/h8-12,18H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27)/t18-/m1/s1
InChIKeyXMVZZEFBHYHVOH-GOSISDBHSA-N
XLogP4.02
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25144869) is 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CCOC[C@H]1CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is XMVZZEFBHYHVOH-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N8OS/c1-3-31-14-18-6-4-5-7-29(18)13-17-8-20(32-28-17)27-21-22-23-11-19(16-9-24-25-10-16)30(22)12-15(2)26-21/h8-12,18H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27)/t18-/m1/s1.
What are the key properties of 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 452.59 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25144869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).