N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine

C24H30N8O3S2 — CID 89360135

IUPACN-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC1C=C(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)SC1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H30N8O3S2/c1-16-10-21(36-24(16)37(33,34)31-6-8-35-9-7-31)29-22-23-26-13-20(18-12-27-30(2)14-18)32(23)15-19(28-22)17-4-3-5-25-11-17/h4,10,12-16,24-25H,3,5-9,11H2,1-2H3,(H,28,29)
InChIKeyJXTMNMKIPGSMMI-UHFFFAOYSA-N
MW542.69 g/mol
LogP2.13
Rot. Bonds6

About N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine

N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 89360135) has the molecular formula C24H30N8O3S2 and a molecular weight of 542.69 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID89360135
Molecular FormulaC24H30N8O3S2
Molecular Weight542.69 g/mol
Exact Mass542.19
IUPAC NameN-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC1C=C(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)SC1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H30N8O3S2/c1-16-10-21(36-24(16)37(33,34)31-6-8-35-9-7-31)29-22-23-26-13-20(18-12-27-30(2)14-18)32(23)15-19(28-22)17-4-3-5-25-11-17/h4,10,12-16,24-25H,3,5-9,11H2,1-2H3,(H,28,29)
InChIKeyJXTMNMKIPGSMMI-UHFFFAOYSA-N
XLogP2.13
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 89360135) is N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine is CC1C=C(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)SC1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is JXTMNMKIPGSMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O3S2/c1-16-10-21(36-24(16)37(33,34)31-6-8-35-9-7-31)29-22-23-26-13-20(18-12-27-30(2)14-18)32(23)15-19(28-22)17-4-3-5-25-11-17/h4,10,12-16,24-25H,3,5-9,11H2,1-2H3,(H,28,29).
What are the key properties of N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 542.69 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 89360135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).