1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide

C15H14N8O — CID 122161190

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide
SMILESO=C(Nc1cnccn1)C1CN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C15H14N8O/c24-15(21-12-6-16-1-2-18-12)11-7-23(8-11)14-5-13(19-9-20-14)22-4-3-17-10-22/h1-6,9-11H,7-8H2,(H,18,21,24)
InChIKeyAZPCIUBLSXPZSJ-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.53
Rot. Bonds4

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide (PubChem CID 122161190) has the molecular formula C15H14N8O and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide
PubChem CID122161190
Molecular FormulaC15H14N8O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide
SMILESO=C(Nc1cnccn1)C1CN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C15H14N8O/c24-15(21-12-6-16-1-2-18-12)11-7-23(8-11)14-5-13(19-9-20-14)22-4-3-17-10-22/h1-6,9-11H,7-8H2,(H,18,21,24)
InChIKeyAZPCIUBLSXPZSJ-UHFFFAOYSA-N
XLogP0.53
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100942
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide
CID 122161195
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
CID 122161194
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 119100946
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[3-(methanesulfonamido)phenyl]azetidine-3-carboxamide
CID 122161183
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methylcyclohexyl)azetidine-3-carboxamide
CID 122160300
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
CID 121018217
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 119100949
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100941
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide (CID 122161190) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide is O=C(Nc1cnccn1)C1CN(c2cc(-n3ccnc3)ncn2)C1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide?
The InChIKey is AZPCIUBLSXPZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O/c24-15(21-12-6-16-1-2-18-12)11-7-23(8-11)14-5-13(19-9-20-14)22-4-3-17-10-22/h1-6,9-11H,7-8H2,(H,18,21,24).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide is sourced from PubChem (CID 122161190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).