N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide

C24H21N5O3 — CID 71790881

IUPACN-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide
SMILESCc1nccn1-c1ccc(=O)n(CCNC(=O)C2c3ccccc3Oc3ccccc32)n1
InChIInChI=1S/C24H21N5O3/c1-16-25-12-14-28(16)21-10-11-22(30)29(27-21)15-13-26-24(31)23-17-6-2-4-8-19(17)32-20-9-5-3-7-18(20)23/h2-12,14,23H,13,15H2,1H3,(H,26,31)
InChIKeyHHUWVLFCFWWPMP-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.79
Rot. Bonds5

About N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide

N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide (PubChem CID 71790881) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide
PubChem CID71790881
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide
SMILESCc1nccn1-c1ccc(=O)n(CCNC(=O)C2c3ccccc3Oc3ccccc32)n1
InChIInChI=1S/C24H21N5O3/c1-16-25-12-14-28(16)21-10-11-22(30)29(27-21)15-13-26-24(31)23-17-6-2-4-8-19(17)32-20-9-5-3-7-18(20)23/h2-12,14,23H,13,15H2,1H3,(H,26,31)
InChIKeyHHUWVLFCFWWPMP-UHFFFAOYSA-N
XLogP2.79
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide (CID 71790881) is N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide is Cc1nccn1-c1ccc(=O)n(CCNC(=O)C2c3ccccc3Oc3ccccc32)n1.
What is the InChIKey of N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is HHUWVLFCFWWPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-16-25-12-14-28(16)21-10-11-22(30)29(27-21)15-13-26-24(31)23-17-6-2-4-8-19(17)32-20-9-5-3-7-18(20)23/h2-12,14,23H,13,15H2,1H3,(H,26,31).
What are the key properties of N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide?
N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 71790881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).