8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C18H22N8O — CID 131661103

IUPAC8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC1c2nc(C(=O)NCc3ncccn3)cn2CCN1Cc1cnn(C)c1
InChIInChI=1S/C18H22N8O/c1-13-17-23-15(18(27)21-9-16-19-4-3-5-20-16)12-26(17)7-6-25(13)11-14-8-22-24(2)10-14/h3-5,8,10,12-13H,6-7,9,11H2,1-2H3,(H,21,27)
InChIKeyMTELDZDCHBOIJB-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.91
Rot. Bonds5

About 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 131661103) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID131661103
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC1c2nc(C(=O)NCc3ncccn3)cn2CCN1Cc1cnn(C)c1
InChIInChI=1S/C18H22N8O/c1-13-17-23-15(18(27)21-9-16-19-4-3-5-20-16)12-26(17)7-6-25(13)11-14-8-22-24(2)10-14/h3-5,8,10,12-13H,6-7,9,11H2,1-2H3,(H,21,27)
InChIKeyMTELDZDCHBOIJB-UHFFFAOYSA-N
XLogP0.91
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 133137342
8-methyl-N,7-bis(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 133142132
(8S)-8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124809087
7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155825841
(8R)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124910019
(8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124910020
8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155862125
7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 146072668
N-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131653432
7-(3-fluorocyclobutanecarbonyl)-8-methyl-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131693864
(8R)-8-methyl-N-propan-2-yl-7-(quinolin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124806170
N-(2-methoxyethyl)-8-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131662656

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 131661103) is 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CC1c2nc(C(=O)NCc3ncccn3)cn2CCN1Cc1cnn(C)c1.
What is the InChIKey of 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is MTELDZDCHBOIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-13-17-23-15(18(27)21-9-16-19-4-3-5-20-16)12-26(17)7-6-25(13)11-14-8-22-24(2)10-14/h3-5,8,10,12-13H,6-7,9,11H2,1-2H3,(H,21,27).
What are the key properties of 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 131661103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).