3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine

C37H42N16S2 — CID 157076798

IUPAC3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine
SMILESCN1CCCC(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)sn2)C1.Cn1cc(-c2cnc3c(Nc4cc(C5CCCNC5)ns4)nccn23)cn1
InChIInChI=1S/C19H22N8S.C18H20N8S/c1-25-6-3-4-13(11-25)15-8-17(28-24-15)23-18-19-21-10-16(27(19)7-5-20-18)14-9-22-26(2)12-14;1-25-11-13(9-22-25)15-10-21-18-17(20-5-6-26(15)18)23-16-7-14(24-27-16)12-3-2-4-19-8-12/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,20,23);5-7,9-12,19H,2-4,8H2,1H3,(H,20,23)
InChIKeyADBHOSIWMCIHNV-UHFFFAOYSA-N
MW774.99 g/mol
LogP5.94
Rot. Bonds8

About 3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine

3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine (PubChem CID 157076798) has the molecular formula C37H42N16S2 and a molecular weight of 774.99 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine
PubChem CID157076798
Molecular FormulaC37H42N16S2
Molecular Weight774.99 g/mol
Exact Mass774.32
IUPAC Name3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine
SMILESCN1CCCC(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)sn2)C1.Cn1cc(-c2cnc3c(Nc4cc(C5CCCNC5)ns4)nccn23)cn1
InChIInChI=1S/C19H22N8S.C18H20N8S/c1-25-6-3-4-13(11-25)15-8-17(28-24-15)23-18-19-21-10-16(27(19)7-5-20-18)14-9-22-26(2)12-14;1-25-11-13(9-22-25)15-10-21-18-17(20-5-6-26(15)18)23-16-7-14(24-27-16)12-3-2-4-19-8-12/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,20,23);5-7,9-12,19H,2-4,8H2,1H3,(H,20,23)
InChIKeyADBHOSIWMCIHNV-UHFFFAOYSA-N
XLogP5.94
TPSA161.13 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.99
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

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

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Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
CID 25145716
Aurora inhibitor 1
CID 51003133
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
CID 11566279
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 11632327
3-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)isothiazol-5-amine
CID 16046104
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(6-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25143601
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(5-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145713
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145714
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(3-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145715
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-(pyridin-3-ylmethyl)acetamide
CID 44177727
3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 56662867
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine (CID 157076798) is 3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine is CN1CCCC(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)sn2)C1.Cn1cc(-c2cnc3c(Nc4cc(C5CCCNC5)ns4)nccn23)cn1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine?
The InChIKey is ADBHOSIWMCIHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8S.C18H20N8S/c1-25-6-3-4-13(11-25)15-8-17(28-24-15)23-18-19-21-10-16(27(19)7-5-20-18)14-9-22-26(2)12-14;1-25-11-13(9-22-25)15-10-21-18-17(20-5-6-26(15)18)23-16-7-14(24-27-16)12-3-2-4-19-8-12/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,20,23);5-7,9-12,19H,2-4,8H2,1H3,(H,20,23).
What are the key properties of 3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine?
3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine has a molecular weight of 774.99 g/mol, XLogP of 5.94, 8 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 157076798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).