ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone

C26H34N8OS — CID 143755984

IUPACethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone
SMILESCC.O=C(c1sc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1CN1CCCC1)N1CCCCC1
InChIInChI=1S/C24H28N8OS.C2H6/c33-24(31-9-2-1-3-10-31)21-17(16-30-7-4-5-8-30)12-20(34-21)29-22-23-26-15-19(18-13-27-28-14-18)32(23)11-6-25-22;1-2/h6,11-15H,1-5,7-10,16H2,(H,25,29)(H,27,28);1-2H3
InChIKeySXGCUHQFIGFYNT-UHFFFAOYSA-N
MW506.68 g/mol
LogP5.17
Rot. Bonds6

About ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone

ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone (PubChem CID 143755984) has the molecular formula C26H34N8OS and a molecular weight of 506.68 g/mol. Its IUPAC name is ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Nameethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone
PubChem CID143755984
Molecular FormulaC26H34N8OS
Molecular Weight506.68 g/mol
Exact Mass506.26
IUPAC Nameethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone
SMILESCC.O=C(c1sc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1CN1CCCC1)N1CCCCC1
InChIInChI=1S/C24H28N8OS.C2H6/c33-24(31-9-2-1-3-10-31)21-17(16-30-7-4-5-8-30)12-20(34-21)29-22-23-26-15-19(18-13-27-28-14-18)32(23)11-6-25-22;1-2/h6,11-15H,1-5,7-10,16H2,(H,25,29)(H,27,28);1-2H3
InChIKeySXGCUHQFIGFYNT-UHFFFAOYSA-N
XLogP5.17
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.68
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone with MolForge

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Related Compounds

US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 228
CID 134540119
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 59503744
US10100058, Example 1
CID 134539527
US10100058, Example 36
CID 134539804
US10100058, Example 232
CID 134539755
US10100058, Example 334
CID 134539766
Tebapivat
CID 137501615
N-[(2R)-2-(diethylamino)propyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 145965594
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-[(2S)-1-(diethylamino)propan-2-yl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 145966912

Frequently Asked Questions

What is the IUPAC name of ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone?
The IUPAC name of ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone (CID 143755984) is ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone.
What is the SMILES notation for ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone?
The canonical SMILES for ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone is CC.O=C(c1sc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1CN1CCCC1)N1CCCCC1.
What is the InChIKey of ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone?
The InChIKey is SXGCUHQFIGFYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8OS.C2H6/c33-24(31-9-2-1-3-10-31)21-17(16-30-7-4-5-8-30)12-20(34-21)29-22-23-26-15-19(18-13-27-28-14-18)32(23)11-6-25-22;1-2/h6,11-15H,1-5,7-10,16H2,(H,25,29)(H,27,28);1-2H3.
What are the key properties of ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone?
ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone has a molecular weight of 506.68 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;piperidin-1-yl-[5-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 143755984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).