N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide

C27H26N6O — CID 72545992

IUPACN-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cnc3cc(-c4ccc5[nH]ccc5c4)cnc3n2)cc1
InChIInChI=1S/C27H26N6O/c1-33(2)13-3-11-29-27(34)19-6-4-18(5-7-19)25-17-30-24-15-22(16-31-26(24)32-25)20-8-9-23-21(14-20)10-12-28-23/h4-10,12,14-17,28H,3,11,13H2,1-2H3,(H,29,34)
InChIKeyISGWVXICMASBGG-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.52
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide

N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide (PubChem CID 72545992) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide
PubChem CID72545992
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC NameN-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cnc3cc(-c4ccc5[nH]ccc5c4)cnc3n2)cc1
InChIInChI=1S/C27H26N6O/c1-33(2)13-3-11-29-27(34)19-6-4-18(5-7-19)25-17-30-24-15-22(16-31-26(24)32-25)20-8-9-23-21(14-20)10-12-28-23/h4-10,12,14-17,28H,3,11,13H2,1-2H3,(H,29,34)
InChIKeyISGWVXICMASBGG-UHFFFAOYSA-N
XLogP4.52
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide (CID 72545992) is N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide is CN(C)CCCNC(=O)c1ccc(-c2cnc3cc(-c4ccc5[nH]ccc5c4)cnc3n2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide?
The InChIKey is ISGWVXICMASBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-33(2)13-3-11-29-27(34)19-6-4-18(5-7-19)25-17-30-24-15-22(16-31-26(24)32-25)20-8-9-23-21(14-20)10-12-28-23/h4-10,12,14-17,28H,3,11,13H2,1-2H3,(H,29,34).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide?
N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide has a molecular weight of 450.55 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide is sourced from PubChem (CID 72545992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).