4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide

C27H23N7O2 — CID 67389031

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(-c4ccccc4)c3)nc2n1
InChIInChI=1S/C27H23N7O2/c1-32-24(21(16-28-32)26(36)33-12-6-13-33)25(35)30-23-11-14-34-17-22(29-27(34)31-23)20-10-5-9-19(15-20)18-7-3-2-4-8-18/h2-5,7-11,14-17H,6,12-13H2,1H3,(H,29,30,31,35)
InChIKeyFGNREICIDAMOTC-UHFFFAOYSA-N
MW477.53 g/mol
LogP3.89
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide (PubChem CID 67389031) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide
PubChem CID67389031
Molecular FormulaC27H23N7O2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(-c4ccccc4)c3)nc2n1
InChIInChI=1S/C27H23N7O2/c1-32-24(21(16-28-32)26(36)33-12-6-13-33)25(35)30-23-11-14-34-17-22(29-27(34)31-23)20-10-5-9-19(15-20)18-7-3-2-4-8-18/h2-5,7-11,14-17H,6,12-13H2,1H3,(H,29,30,31,35)
InChIKeyFGNREICIDAMOTC-UHFFFAOYSA-N
XLogP3.89
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide (CID 67389031) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(-c4ccccc4)c3)nc2n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide?
The InChIKey is FGNREICIDAMOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-32-24(21(16-28-32)26(36)33-12-6-13-33)25(35)30-23-11-14-34-17-22(29-27(34)31-23)20-10-5-9-19(15-20)18-7-3-2-4-8-18/h2-5,7-11,14-17H,6,12-13H2,1H3,(H,29,30,31,35).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 67389031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).