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

C18H21N7O — CID 97382167

IUPAC1-methyl-N-[[7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccncc2)CC3)cn1
InChIInChI=1S/C18H21N7O/c1-23-11-15(8-21-23)18(26)20-9-16-12-25-7-6-24(13-17(25)22-16)10-14-2-4-19-5-3-14/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,20,26)
InChIKeyJMPPEPNNAXMMLT-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.96
Rot. Bonds5

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

1-methyl-N-[[7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 97382167) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-methyl-N-[[7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID97382167
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-methyl-N-[[7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccncc2)CC3)cn1
InChIInChI=1S/C18H21N7O/c1-23-11-15(8-21-23)18(26)20-9-16-12-25-7-6-24(13-17(25)22-16)10-14-2-4-19-5-3-14/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,20,26)
InChIKeyJMPPEPNNAXMMLT-UHFFFAOYSA-N
XLogP0.96
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.96
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-(pyridin-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-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide (CID 97382167) is 1-methyl-N-[[7-(pyridin-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-(pyridin-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-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccncc2)CC3)cn1.
What is the InChIKey of 1-methyl-N-[[7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is JMPPEPNNAXMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-23-11-15(8-21-23)18(26)20-9-16-12-25-7-6-24(13-17(25)22-16)10-14-2-4-19-5-3-14/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,20,26).
What are the key properties of 1-methyl-N-[[7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 0.96, 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-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97382167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).