N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide

C28H26N4O2 — CID 90614568

IUPACN-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C28H26N4O2/c33-28(26-20-10-2-5-14-24(20)34-25-15-6-3-11-21(25)26)30-17-18-32-23-13-4-1-9-19(23)27(31-32)22-12-7-8-16-29-22/h2-3,5-8,10-12,14-16,26H,1,4,9,13,17-18H2,(H,30,33)
InChIKeySDDUREBQZMBBOI-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.88
Rot. Bonds5

About N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide

N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide (PubChem CID 90614568) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide
PubChem CID90614568
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C28H26N4O2/c33-28(26-20-10-2-5-14-24(20)34-25-15-6-3-11-21(25)26)30-17-18-32-23-13-4-1-9-19(23)27(31-32)22-12-7-8-16-29-22/h2-3,5-8,10-12,14-16,26H,1,4,9,13,17-18H2,(H,30,33)
InChIKeySDDUREBQZMBBOI-UHFFFAOYSA-N
XLogP4.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide with MolForge

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Related Compounds

1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea
CID 90614701
4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90614473
3-nitro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614485
2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614470
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614593
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614552
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 72718530
1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614605
2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614565
methyl 4-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethylsulfamoyl]benzoate
CID 72718545
4-ethyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614611
N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-9H-xanthene-9-carboxamide
CID 71790881

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide (CID 90614568) is N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide is O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is SDDUREBQZMBBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c33-28(26-20-10-2-5-14-24(20)34-25-15-6-3-11-21(25)26)30-17-18-32-23-13-4-1-9-19(23)27(31-32)22-12-7-8-16-29-22/h2-3,5-8,10-12,14-16,26H,1,4,9,13,17-18H2,(H,30,33).
What are the key properties of N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide?
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 90614568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).