acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide

C25H22N6O4 — CID 162332025

IUPACacetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide
SMILESCC(=O)O.O=C1NN=Cc2c(-c3ccccc3)[nH]c3cc(NC(=O)C4CC4c4cnc[nH]4)cc1c23
InChIInChI=1S/C23H18N6O2.C2H4O2/c30-22(15-8-14(15)19-10-24-11-25-19)27-13-6-16-20-17(9-26-29-23(16)31)21(28-18(20)7-13)12-4-2-1-3-5-12;1-2(3)4/h1-7,9-11,14-15,28H,8H2,(H,24,25)(H,27,30)(H,29,31);1H3,(H,3,4)
InChIKeyZWVKDQNVELRDJF-UHFFFAOYSA-N
MW470.49 g/mol
LogP3.47
Rot. Bonds4

About acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide

acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide (PubChem CID 162332025) has the molecular formula C25H22N6O4 and a molecular weight of 470.49 g/mol. Its IUPAC name is acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nameacetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide
PubChem CID162332025
Molecular FormulaC25H22N6O4
Molecular Weight470.49 g/mol
Exact Mass470.17
IUPAC Nameacetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide
SMILESCC(=O)O.O=C1NN=Cc2c(-c3ccccc3)[nH]c3cc(NC(=O)C4CC4c4cnc[nH]4)cc1c23
InChIInChI=1S/C23H18N6O2.C2H4O2/c30-22(15-8-14(15)19-10-24-11-25-19)27-13-6-16-20-17(9-26-29-23(16)31)21(28-18(20)7-13)12-4-2-1-3-5-12;1-2(3)4/h1-7,9-11,14-15,28H,8H2,(H,24,25)(H,27,30)(H,29,31);1H3,(H,3,4)
InChIKeyZWVKDQNVELRDJF-UHFFFAOYSA-N
XLogP3.47
TPSA152.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 53.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide (CID 162332025) is acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide is CC(=O)O.O=C1NN=Cc2c(-c3ccccc3)[nH]c3cc(NC(=O)C4CC4c4cnc[nH]4)cc1c23.
What is the InChIKey of acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide?
The InChIKey is ZWVKDQNVELRDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2.C2H4O2/c30-22(15-8-14(15)19-10-24-11-25-19)27-13-6-16-20-17(9-26-29-23(16)31)21(28-18(20)7-13)12-4-2-1-3-5-12;1-2(3)4/h1-7,9-11,14-15,28H,8H2,(H,24,25)(H,27,30)(H,29,31);1H3,(H,3,4).
What are the key properties of acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide?
acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide has a molecular weight of 470.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 162332025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).