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

C18H26N6O2 — CID 97382172

IUPAC1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCOCC2)CC3)cn1
InChIInChI=1S/C18H26N6O2/c1-22-11-15(8-20-22)18(25)19-9-16-12-24-5-4-23(13-17(24)21-16)10-14-2-6-26-7-3-14/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,19,25)
InChIKeyNAIRKJLTTOGLPS-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.79
Rot. Bonds5

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

1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 97382172) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID97382172
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCOCC2)CC3)cn1
InChIInChI=1S/C18H26N6O2/c1-22-11-15(8-20-22)18(25)19-9-16-12-24-5-4-23(13-17(24)21-16)10-14-2-6-26-7-3-14/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,19,25)
InChIKeyNAIRKJLTTOGLPS-UHFFFAOYSA-N
XLogP0.79
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.79
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-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide (CID 97382172) is 1-methyl-N-[[7-(oxan-4-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-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCOCC2)CC3)cn1.
What is the InChIKey of 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is NAIRKJLTTOGLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-22-11-15(8-20-22)18(25)19-9-16-12-24-5-4-23(13-17(24)21-16)10-14-2-6-26-7-3-14/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,19,25).
What are the key properties of 1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 0.79, 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-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97382172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).