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

C20H24N8OS — CID 52949563

IUPAC3-[[(2S,5S)-2,5-dimethylmorpholin-4-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3C[C@H](C)OC[C@@H]3C)ns2)n1
InChIInChI=1S/C20H24N8OS/c1-12-8-28-17(15-5-22-23-6-15)7-21-20(28)19(24-12)25-18-4-16(26-30-18)10-27-9-14(3)29-11-13(27)2/h4-8,13-14H,9-11H2,1-3H3,(H,22,23)(H,24,25)/t13-,14-/m0/s1
InChIKeyNIRWZZFGDLWHBT-KBPBESRZSA-N
MW424.53 g/mol
LogP3.24
Rot. Bonds5

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

3-[[(2S,5S)-2,5-dimethylmorpholin-4-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 52949563) has the molecular formula C20H24N8OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-[[(2S,5S)-2,5-dimethylmorpholin-4-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-[[(2S,5S)-2,5-dimethylmorpholin-4-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID52949563
Molecular FormulaC20H24N8OS
Molecular Weight424.53 g/mol
Exact Mass424.18
IUPAC Name3-[[(2S,5S)-2,5-dimethylmorpholin-4-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3C[C@H](C)OC[C@@H]3C)ns2)n1
InChIInChI=1S/C20H24N8OS/c1-12-8-28-17(15-5-22-23-6-15)7-21-20(28)19(24-12)25-18-4-16(26-30-18)10-27-9-14(3)29-11-13(27)2/h4-8,13-14H,9-11H2,1-3H3,(H,22,23)(H,24,25)/t13-,14-/m0/s1
InChIKeyNIRWZZFGDLWHBT-KBPBESRZSA-N
XLogP3.24
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,5S)-2,5-dimethylmorpholin-4-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-[[(2S,5S)-2,5-dimethylmorpholin-4-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 52949563) is 3-[[(2S,5S)-2,5-dimethylmorpholin-4-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-[[(2S,5S)-2,5-dimethylmorpholin-4-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-[[(2S,5S)-2,5-dimethylmorpholin-4-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3C[C@H](C)OC[C@@H]3C)ns2)n1.
What is the InChIKey of 3-[[(2S,5S)-2,5-dimethylmorpholin-4-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 NIRWZZFGDLWHBT-KBPBESRZSA-N. The full InChI is InChI=1S/C20H24N8OS/c1-12-8-28-17(15-5-22-23-6-15)7-21-20(28)19(24-12)25-18-4-16(26-30-18)10-27-9-14(3)29-11-13(27)2/h4-8,13-14H,9-11H2,1-3H3,(H,22,23)(H,24,25)/t13-,14-/m0/s1.
What are the key properties of 3-[[(2S,5S)-2,5-dimethylmorpholin-4-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[[(2S,5S)-2,5-dimethylmorpholin-4-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 424.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,5S)-2,5-dimethylmorpholin-4-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 52949563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).