2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

C20H19N7OS — CID 138559123

IUPAC2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCc1cn2c(n1)CN(C(=O)Nc1cc3cc(-c4nnc(C)s4)ccc3cn1)CC2
InChIInChI=1S/C20H19N7OS/c1-12-10-26-5-6-27(11-18(26)22-12)20(28)23-17-8-16-7-14(3-4-15(16)9-21-17)19-25-24-13(2)29-19/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,23,28)
InChIKeyIYCMCPAKSRVWFD-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.61
Rot. Bonds2

About 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (PubChem CID 138559123) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
PubChem CID138559123
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCc1cn2c(n1)CN(C(=O)Nc1cc3cc(-c4nnc(C)s4)ccc3cn1)CC2
InChIInChI=1S/C20H19N7OS/c1-12-10-26-5-6-27(11-18(26)22-12)20(28)23-17-8-16-7-14(3-4-15(16)9-21-17)19-25-24-13(2)29-19/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,23,28)
InChIKeyIYCMCPAKSRVWFD-UHFFFAOYSA-N
XLogP3.61
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (CID 138559123) is 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is Cc1cn2c(n1)CN(C(=O)Nc1cc3cc(-c4nnc(C)s4)ccc3cn1)CC2.
What is the InChIKey of 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is IYCMCPAKSRVWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c1-12-10-26-5-6-27(11-18(26)22-12)20(28)23-17-8-16-7-14(3-4-15(16)9-21-17)19-25-24-13(2)29-19/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,23,28).
What are the key properties of 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 405.49 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 138559123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).