N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide

C25H32N8O2S2 — CID 143756346

IUPACN-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide
SMILESCCN(CCSC)C(=O)c1sc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)cc1CN1CCOCC1
InChIInChI=1S/C25H32N8O2S2/c1-4-32(7-10-36-3)25(34)22-18(16-31-5-8-35-9-6-31)11-21(37-22)30-23-24-26-14-20(19-12-27-28-13-19)33(24)15-17(2)29-23/h11-15H,4-10,16H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyGJURIIOPEWDBAM-UHFFFAOYSA-N
MW540.72 g/mol
LogP3.89
Rot. Bonds10

About N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide

N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 143756346) has the molecular formula C25H32N8O2S2 and a molecular weight of 540.72 g/mol. Its IUPAC name is N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID143756346
Molecular FormulaC25H32N8O2S2
Molecular Weight540.72 g/mol
Exact Mass540.21
IUPAC NameN-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide
SMILESCCN(CCSC)C(=O)c1sc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)cc1CN1CCOCC1
InChIInChI=1S/C25H32N8O2S2/c1-4-32(7-10-36-3)25(34)22-18(16-31-5-8-35-9-6-31)11-21(37-22)30-23-24-26-14-20(19-12-27-28-13-19)33(24)15-17(2)29-23/h11-15H,4-10,16H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyGJURIIOPEWDBAM-UHFFFAOYSA-N
XLogP3.89
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.72
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide with MolForge

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Related Compounds

US10100058, Example 211
CID 134539877
US10100058, Example 141
CID 134539903
US10100058, Example 225
CID 134540086
US10100058, Example 334
CID 134539766
[3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 56658692
4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxamide
CID 145953238
4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 145953650
N-[2-(diethylamino)ethyl]-8-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 145966266
N-[2-(diethylamino)ethyl]-5-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 145971606
US10100058, Example 231
CID 134539422
US10100058, Example 265
CID 134539445
US10100058, Example 310
CID 134539462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide (CID 143756346) is N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide is CCN(CCSC)C(=O)c1sc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)cc1CN1CCOCC1.
What is the InChIKey of N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is GJURIIOPEWDBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2S2/c1-4-32(7-10-36-3)25(34)22-18(16-31-5-8-35-9-6-31)11-21(37-22)30-23-24-26-14-20(19-12-27-28-13-19)33(24)15-17(2)29-23/h11-15H,4-10,16H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide?
N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 540.72 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-methylsulfanylethyl)-3-(morpholin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 143756346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).