N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

C32H30N14S — CID 71197115

IUPACN-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCNCCc1cn2c(-c3cnn(Nc4nccn5c(-c6cnn(Cc7ccccc7)c6)cnc45)c3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C32H30N14S/c1-21-12-28(47-42-21)40-30-32-36-16-27(45(32)20-25(39-30)8-9-33-2)24-14-38-46(19-24)41-29-31-35-15-26(44(31)11-10-34-29)23-13-37-43(18-23)17-22-6-4-3-5-7-22/h3-7,10-16,18-20,33H,8-9,17H2,1-2H3,(H,34,41)(H,39,40)
InChIKeyCRARSSWFURYIID-UHFFFAOYSA-N
MW642.76 g/mol
LogP4.69
Rot. Bonds11

About N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 71197115) has the molecular formula C32H30N14S and a molecular weight of 642.76 g/mol. Its IUPAC name is N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID71197115
Molecular FormulaC32H30N14S
Molecular Weight642.76 g/mol
Exact Mass642.25
IUPAC NameN-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCNCCc1cn2c(-c3cnn(Nc4nccn5c(-c6cnn(Cc7ccccc7)c6)cnc45)c3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C32H30N14S/c1-21-12-28(47-42-21)40-30-32-36-16-27(45(32)20-25(39-30)8-9-33-2)24-14-38-46(19-24)41-29-31-35-15-26(44(31)11-10-34-29)23-13-37-43(18-23)17-22-6-4-3-5-7-22/h3-7,10-16,18-20,33H,8-9,17H2,1-2H3,(H,34,41)(H,39,40)
InChIKeyCRARSSWFURYIID-UHFFFAOYSA-N
XLogP4.69
TPSA145.00 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 71197115) is N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is CNCCc1cn2c(-c3cnn(Nc4nccn5c(-c6cnn(Cc7ccccc7)c6)cnc45)c3)cnc2c(Nc2cc(C)ns2)n1.
What is the InChIKey of N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is CRARSSWFURYIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N14S/c1-21-12-28(47-42-21)40-30-32-36-16-27(45(32)20-25(39-30)8-9-33-2)24-14-38-46(19-24)41-29-31-35-15-26(44(31)11-10-34-29)23-13-37-43(18-23)17-22-6-4-3-5-7-22/h3-7,10-16,18-20,33H,8-9,17H2,1-2H3,(H,34,41)(H,39,40).
What are the key properties of N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 642.76 g/mol, XLogP of 4.69, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 71197115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).