2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine

C23H25N5O2S — CID 16674235

IUPAC2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1CN1CCOCC1
InChIInChI=1S/C23H25N5O2S/c1-29-20-5-4-17(13-18(20)16-27-8-10-30-11-9-27)22-23(25-14-19-3-2-12-31-19)28-7-6-24-15-21(28)26-22/h2-7,12-13,15,25H,8-11,14,16H2,1H3
InChIKeyMVTRUMDCLIOGJC-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.91
Rot. Bonds7

About 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine

2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 16674235) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID16674235
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1CN1CCOCC1
InChIInChI=1S/C23H25N5O2S/c1-29-20-5-4-17(13-18(20)16-27-8-10-30-11-9-27)22-23(25-14-19-3-2-12-31-19)28-7-6-24-15-21(28)26-22/h2-7,12-13,15,25H,8-11,14,16H2,1H3
InChIKeyMVTRUMDCLIOGJC-UHFFFAOYSA-N
XLogP3.91
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine (CID 16674235) is 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine is COc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1CN1CCOCC1.
What is the InChIKey of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is MVTRUMDCLIOGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-29-20-5-4-17(13-18(20)16-27-8-10-30-11-9-27)22-23(25-14-19-3-2-12-31-19)28-7-6-24-15-21(28)26-22/h2-7,12-13,15,25H,8-11,14,16H2,1H3.
What are the key properties of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine?
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 435.55 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 16674235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).