3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride

C19H23ClN8S — CID 53325853

IUPAC3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride
SMILESCl.[2H]C([2H])(c1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)N1CCCCC1
InChIInChI=1S/C19H22N8S.ClH/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26;/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24);1H/i12D2;
InChIKeyNUIGNAVUCSIROJ-JIOWASMBSA-N
MW432.98 g/mol
LogP4.04
Rot. Bonds5

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

3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride (PubChem CID 53325853) has the molecular formula C19H23ClN8S and a molecular weight of 432.98 g/mol. Its IUPAC name is 3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride
PubChem CID53325853
Molecular FormulaC19H23ClN8S
Molecular Weight432.98 g/mol
Exact Mass432.16
IUPAC Name3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride
SMILESCl.[2H]C([2H])(c1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)N1CCCCC1
InChIInChI=1S/C19H22N8S.ClH/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26;/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24);1H/i12D2;
InChIKeyNUIGNAVUCSIROJ-JIOWASMBSA-N
XLogP4.04
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.98
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride?
The IUPAC name of 3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride (CID 53325853) is 3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride.
What is the SMILES notation for 3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride?
The canonical SMILES for 3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride is Cl.[2H]C([2H])(c1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)N1CCCCC1.
What is the InChIKey of 3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride?
The InChIKey is NUIGNAVUCSIROJ-JIOWASMBSA-N. The full InChI is InChI=1S/C19H22N8S.ClH/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26;/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24);1H/i12D2;.
What are the key properties of 3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride?
3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride has a molecular weight of 432.98 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;hydrochloride is sourced from PubChem (CID 53325853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).