3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C20H18N8OS — CID 25145571

IUPAC3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCOc1cccnc1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C20H18N8OS/c1-12-11-28-16(13-8-23-24-9-13)10-22-20(28)19(25-12)26-18-7-14(27-30-18)6-15-17(29-2)4-3-5-21-15/h3-5,7-11H,6H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyXDXWLUOCTFTLRP-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.62
Rot. Bonds6

About 3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25145571) has the molecular formula C20H18N8OS and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25145571
Molecular FormulaC20H18N8OS
Molecular Weight418.49 g/mol
Exact Mass418.13
IUPAC Name3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCOc1cccnc1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C20H18N8OS/c1-12-11-28-16(13-8-23-24-9-13)10-22-20(28)19(25-12)26-18-7-14(27-30-18)6-15-17(29-2)4-3-5-21-15/h3-5,7-11H,6H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyXDXWLUOCTFTLRP-UHFFFAOYSA-N
XLogP3.62
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25145571) is 3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is COc1cccnc1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is XDXWLUOCTFTLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8OS/c1-12-11-28-16(13-8-23-24-9-13)10-22-20(28)19(25-12)26-18-7-14(27-30-18)6-15-17(29-2)4-3-5-21-15/h3-5,7-11H,6H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 418.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25145571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).