N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine

C21H24N8OS — CID 52944679

IUPACN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOCC34CCC4)ns2)n1
InChIInChI=1S/C21H24N8OS/c1-14-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-14)26-18-7-16(27-31-18)12-28-5-6-30-13-21(28)3-2-4-21/h7-11H,2-6,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyUEEGLCWSBGVADM-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.38
Rot. Bonds5

About N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine (PubChem CID 52944679) has the molecular formula C21H24N8OS and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine
PubChem CID52944679
Molecular FormulaC21H24N8OS
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOCC34CCC4)ns2)n1
InChIInChI=1S/C21H24N8OS/c1-14-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-14)26-18-7-16(27-31-18)12-28-5-6-30-13-21(28)3-2-4-21/h7-11H,2-6,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyUEEGLCWSBGVADM-UHFFFAOYSA-N
XLogP3.38
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine?
The IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine (CID 52944679) is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOCC34CCC4)ns2)n1.
What is the InChIKey of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine?
The InChIKey is UEEGLCWSBGVADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8OS/c1-14-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-14)26-18-7-16(27-31-18)12-28-5-6-30-13-21(28)3-2-4-21/h7-11H,2-6,12-13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine?
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine has a molecular weight of 436.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 52944679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).