1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide

C18H22N6OS — CID 97382162

IUPAC1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1ccc(CN2CCn3cc(CNC(=O)c4cnn(C)c4)nc3C2)s1
InChIInChI=1S/C18H22N6OS/c1-13-3-4-16(26-13)11-23-5-6-24-10-15(21-17(24)12-23)8-19-18(25)14-7-20-22(2)9-14/h3-4,7,9-10H,5-6,8,11-12H2,1-2H3,(H,19,25)
InChIKeyYLKWDLVZUVUWDW-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.93
Rot. Bonds5

About 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 97382162) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID97382162
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1ccc(CN2CCn3cc(CNC(=O)c4cnn(C)c4)nc3C2)s1
InChIInChI=1S/C18H22N6OS/c1-13-3-4-16(26-13)11-23-5-6-24-10-15(21-17(24)12-23)8-19-18(25)14-7-20-22(2)9-14/h3-4,7,9-10H,5-6,8,11-12H2,1-2H3,(H,19,25)
InChIKeyYLKWDLVZUVUWDW-UHFFFAOYSA-N
XLogP1.93
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide (CID 97382162) is 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide is Cc1ccc(CN2CCn3cc(CNC(=O)c4cnn(C)c4)nc3C2)s1.
What is the InChIKey of 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is YLKWDLVZUVUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-13-3-4-16(26-13)11-23-5-6-24-10-15(21-17(24)12-23)8-19-18(25)14-7-20-22(2)9-14/h3-4,7,9-10H,5-6,8,11-12H2,1-2H3,(H,19,25).
What are the key properties of 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97382162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).