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

C19H19BrN4O2 — CID 91917292

IUPACN-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccccc1Br
InChIInChI=1S/C19H19BrN4O2/c20-14-6-2-4-8-16(14)21-17(25)9-10-23-11-12-24-18(19(23)26)13-5-1-3-7-15(13)22-24/h2,4,6,8,11-12H,1,3,5,7,9-10H2,(H,21,25)
InChIKeyNNXVQGLTGUAXKU-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.17
Rot. Bonds4

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

N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (PubChem CID 91917292) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
PubChem CID91917292
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC NameN-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccccc1Br
InChIInChI=1S/C19H19BrN4O2/c20-14-6-2-4-8-16(14)21-17(25)9-10-23-11-12-24-18(19(23)26)13-5-1-3-7-15(13)22-24/h2,4,6,8,11-12H,1,3,5,7,9-10H2,(H,21,25)
InChIKeyNNXVQGLTGUAXKU-UHFFFAOYSA-N
XLogP3.17
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (CID 91917292) is N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The InChIKey is NNXVQGLTGUAXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c20-14-6-2-4-8-16(14)21-17(25)9-10-23-11-12-24-18(19(23)26)13-5-1-3-7-15(13)22-24/h2,4,6,8,11-12H,1,3,5,7,9-10H2,(H,21,25).
What are the key properties of N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide has a molecular weight of 415.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is sourced from PubChem (CID 91917292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).