1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide

C17H24N6O2 — CID 118746215

IUPAC1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCOC2)CC3)cn1
InChIInChI=1S/C17H24N6O2/c1-21-9-14(6-19-21)17(24)18-7-15-10-23-4-3-22(11-16(23)20-15)8-13-2-5-25-12-13/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H,18,24)
InChIKeyNZGBNOKMYJZYHJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.40
Rot. Bonds5

About 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 118746215) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID118746215
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCOC2)CC3)cn1
InChIInChI=1S/C17H24N6O2/c1-21-9-14(6-19-21)17(24)18-7-15-10-23-4-3-22(11-16(23)20-15)8-13-2-5-25-12-13/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H,18,24)
InChIKeyNZGBNOKMYJZYHJ-UHFFFAOYSA-N
XLogP0.40
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.40
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-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide (CID 118746215) is 1-methyl-N-[[7-(oxolan-3-ylmethyl)-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-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCOC2)CC3)cn1.
What is the InChIKey of 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is NZGBNOKMYJZYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21-9-14(6-19-21)17(24)18-7-15-10-23-4-3-22(11-16(23)20-15)8-13-2-5-25-12-13/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H,18,24).
What are the key properties of 1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.40, 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-(oxolan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 118746215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).