3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide

C25H24N4O3 — CID 91890228

IUPAC3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24N4O3/c30-23(26-18-10-12-20(13-11-18)32-19-6-2-1-3-7-19)14-15-28-16-17-29-24(25(28)31)21-8-4-5-9-22(21)27-29/h1-3,6-7,10-13,16-17H,4-5,8-9,14-15H2,(H,26,30)
InChIKeyFAEGZQGPKWTOBW-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.20
Rot. Bonds6

About 3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide

3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 91890228) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide
PubChem CID91890228
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24N4O3/c30-23(26-18-10-12-20(13-11-18)32-19-6-2-1-3-7-19)14-15-28-16-17-29-24(25(28)31)21-8-4-5-9-22(21)27-29/h1-3,6-7,10-13,16-17H,4-5,8-9,14-15H2,(H,26,30)
InChIKeyFAEGZQGPKWTOBW-UHFFFAOYSA-N
XLogP4.20
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide (CID 91890228) is 3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide is O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is FAEGZQGPKWTOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-23(26-18-10-12-20(13-11-18)32-19-6-2-1-3-7-19)14-15-28-16-17-29-24(25(28)31)21-8-4-5-9-22(21)27-29/h1-3,6-7,10-13,16-17H,4-5,8-9,14-15H2,(H,26,30).
What are the key properties of 3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide?
3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 428.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 91890228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).