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

C19H19IN4O2 — CID 91890240

IUPACN-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccc(I)cc1
InChIInChI=1S/C19H19IN4O2/c20-13-5-7-14(8-6-13)21-17(25)9-10-23-11-12-24-18(19(23)26)15-3-1-2-4-16(15)22-24/h5-8,11-12H,1-4,9-10H2,(H,21,25)
InChIKeyVWOZPFBBJDPGGK-UHFFFAOYSA-N
MW462.29 g/mol
LogP3.01
Rot. Bonds4

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

N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (PubChem CID 91890240) has the molecular formula C19H19IN4O2 and a molecular weight of 462.29 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
PubChem CID91890240
Molecular FormulaC19H19IN4O2
Molecular Weight462.29 g/mol
Exact Mass462.06
IUPAC NameN-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccc(I)cc1
InChIInChI=1S/C19H19IN4O2/c20-13-5-7-14(8-6-13)21-17(25)9-10-23-11-12-24-18(19(23)26)15-3-1-2-4-16(15)22-24/h5-8,11-12H,1-4,9-10H2,(H,21,25)
InChIKeyVWOZPFBBJDPGGK-UHFFFAOYSA-N
XLogP3.01
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890226
N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890247
N-(5-fluoro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890245
N-(4-methylphenyl)-2-(3-oxo-4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1,5,8-trien-4-yl)acetamide
CID 91891611
N-[(4-chlorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890268
N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890227
N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91917313
N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91906900
N-(3-chloro-4-fluorophenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890296
N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890297
N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890117
N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078891

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The IUPAC name of N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (CID 91890240) is N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.
What is the SMILES notation for N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The canonical SMILES for N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The InChIKey is VWOZPFBBJDPGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN4O2/c20-13-5-7-14(8-6-13)21-17(25)9-10-23-11-12-24-18(19(23)26)15-3-1-2-4-16(15)22-24/h5-8,11-12H,1-4,9-10H2,(H,21,25).
What are the key properties of N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide has a molecular weight of 462.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is sourced from PubChem (CID 91890240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).