4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide

C19H18N8O2 — CID 67388723

IUPAC4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide
SMILESCCCNC(=O)c1n[nH]nc1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C19H18N8O2/c1-2-9-20-17(28)15-16(25-26-24-15)18(29)22-14-8-10-27-11-13(21-19(27)23-14)12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H,20,28)(H,24,25,26)(H,21,22,23,29)
InChIKeyYQYDBKAVQNAUMC-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.91
Rot. Bonds6

About 4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide

4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide (PubChem CID 67388723) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide
PubChem CID67388723
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide
SMILESCCCNC(=O)c1n[nH]nc1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C19H18N8O2/c1-2-9-20-17(28)15-16(25-26-24-15)18(29)22-14-8-10-27-11-13(21-19(27)23-14)12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H,20,28)(H,24,25,26)(H,21,22,23,29)
InChIKeyYQYDBKAVQNAUMC-UHFFFAOYSA-N
XLogP1.91
TPSA129.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide (CID 67388723) is 4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide is CCCNC(=O)c1n[nH]nc1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide?
The InChIKey is YQYDBKAVQNAUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-2-9-20-17(28)15-16(25-26-24-15)18(29)22-14-8-10-27-11-13(21-19(27)23-14)12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H,20,28)(H,24,25,26)(H,21,22,23,29).
What are the key properties of 4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide?
4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide has a molecular weight of 390.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide is sourced from PubChem (CID 67388723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).