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

C40H48N16S2 — CID 123911917

IUPAC3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(C)CC3)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/2C20H24N8S/c1-13-3-5-27(6-4-13)12-16-7-18(29-26-16)25-19-20-21-10-17(15-8-22-23-9-15)28(20)11-14(2)24-19;1-13-4-3-5-27(10-13)12-16-6-18(29-26-16)25-19-20-21-9-17(15-7-22-23-8-15)28(20)11-14(2)24-19/h7-11,13H,3-6,12H2,1-2H3,(H,22,23)(H,24,25);6-9,11,13H,3-5,10,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyBALUIYFDHJHPDD-UHFFFAOYSA-N
MW817.07 g/mol
LogP7.72
Rot. Bonds10

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

3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 123911917) has the molecular formula C40H48N16S2 and a molecular weight of 817.07 g/mol. Its IUPAC name is 3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)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-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID123911917
Molecular FormulaC40H48N16S2
Molecular Weight817.07 g/mol
Exact Mass816.37
IUPAC Name3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(C)CC3)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/2C20H24N8S/c1-13-3-5-27(6-4-13)12-16-7-18(29-26-16)25-19-20-21-10-17(15-8-22-23-9-15)28(20)11-14(2)24-19;1-13-4-3-5-27(10-13)12-16-6-18(29-26-16)25-19-20-21-9-17(15-7-22-23-8-15)28(20)11-14(2)24-19/h7-11,13H,3-6,12H2,1-2H3,(H,22,23)(H,24,25);6-9,11,13H,3-5,10,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyBALUIYFDHJHPDD-UHFFFAOYSA-N
XLogP7.72
TPSA174.06 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.07
LogP ≤ 57.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine with MolForge

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Related Compounds

N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 49867401
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 11632327
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 25144294
3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25144582
3-((3,3-dimethylmorpholino)methyl)-N-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)isothiazol-5-amine
CID 25145144
3-((2,2-dimethylpiperidin-1-yl)methyl)-N-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)isothiazol-5-amine
CID 25145718
3-methyl-N-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)isothiazol-5-amine
CID 52942070
8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile
CID 56662926
3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 56666399
N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 56666401
N-[6-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 56679966
N-[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 56683295

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)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-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 123911917) is 3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)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-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)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-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(C)CC3)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.
What is the InChIKey of 3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is BALUIYFDHJHPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H24N8S/c1-13-3-5-27(6-4-13)12-16-7-18(29-26-16)25-19-20-21-10-17(15-8-22-23-9-15)28(20)11-14(2)24-19;1-13-4-3-5-27(10-13)12-16-6-18(29-26-16)25-19-20-21-9-17(15-7-22-23-8-15)28(20)11-14(2)24-19/h7-11,13H,3-6,12H2,1-2H3,(H,22,23)(H,24,25);6-9,11,13H,3-5,10,12H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)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 817.07 g/mol, XLogP of 7.72, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[(4-methylpiperidin-1-yl)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 123911917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).