1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide

C20H18N8O — CID 122161194

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C20H18N8O/c29-20(25-16-3-1-14(2-4-16)17-5-6-24-26-17)15-10-28(11-15)19-9-18(22-12-23-19)27-8-7-21-13-27/h1-9,12-13,15H,10-11H2,(H,24,26)(H,25,29)
InChIKeyMTUNPMBJQSHQCA-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.13
Rot. Bonds5

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide (PubChem CID 122161194) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
PubChem CID122161194
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C20H18N8O/c29-20(25-16-3-1-14(2-4-16)17-5-6-24-26-17)15-10-28(11-15)19-9-18(22-12-23-19)27-8-7-21-13-27/h1-9,12-13,15H,10-11H2,(H,24,26)(H,25,29)
InChIKeyMTUNPMBJQSHQCA-UHFFFAOYSA-N
XLogP2.13
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 119100946
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-pyrazin-2-ylazetidine-3-carboxamide
CID 122161190
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-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
CID 121018217
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90520307
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
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-methylcyclohexyl)azetidine-3-carboxamide
CID 122160300
N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100941
N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520304

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide (CID 122161194) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide is O=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CN(c2cc(-n3ccnc3)ncn2)C1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide?
The InChIKey is MTUNPMBJQSHQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c29-20(25-16-3-1-14(2-4-16)17-5-6-24-26-17)15-10-28(11-15)19-9-18(22-12-23-19)27-8-7-21-13-27/h1-9,12-13,15H,10-11H2,(H,24,26)(H,25,29).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 122161194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).