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

C30H31N7O — CID 72545990

IUPAC4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccc(-c3cnc4cc(-c5ccc6[nH]ccc6c5)cnc4n3)cc2)CC1
InChIInChI=1S/C30H31N7O/c1-36-13-15-37(16-14-36)12-2-10-32-30(38)22-5-3-21(4-6-22)28-20-33-27-18-25(19-34-29(27)35-28)23-7-8-26-24(17-23)9-11-31-26/h3-9,11,17-20,31H,2,10,12-16H2,1H3,(H,32,38)
InChIKeyWQOLLUCIEOCYBR-UHFFFAOYSA-N
MW505.63 g/mol
LogP4.21
Rot. Bonds7

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

4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (PubChem CID 72545990) has the molecular formula C30H31N7O and a molecular weight of 505.63 g/mol. Its IUPAC name is 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
PubChem CID72545990
Molecular FormulaC30H31N7O
Molecular Weight505.63 g/mol
Exact Mass505.26
IUPAC Name4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccc(-c3cnc4cc(-c5ccc6[nH]ccc6c5)cnc4n3)cc2)CC1
InChIInChI=1S/C30H31N7O/c1-36-13-15-37(16-14-36)12-2-10-32-30(38)22-5-3-21(4-6-22)28-20-33-27-18-25(19-34-29(27)35-28)23-7-8-26-24(17-23)9-11-31-26/h3-9,11,17-20,31H,2,10,12-16H2,1H3,(H,32,38)
InChIKeyWQOLLUCIEOCYBR-UHFFFAOYSA-N
XLogP4.21
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.63
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (CID 72545990) is 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is CN1CCN(CCCNC(=O)c2ccc(-c3cnc4cc(-c5ccc6[nH]ccc6c5)cnc4n3)cc2)CC1.
What is the InChIKey of 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The InChIKey is WQOLLUCIEOCYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O/c1-36-13-15-37(16-14-36)12-2-10-32-30(38)22-5-3-21(4-6-22)28-20-33-27-18-25(19-34-29(27)35-28)23-7-8-26-24(17-23)9-11-31-26/h3-9,11,17-20,31H,2,10,12-16H2,1H3,(H,32,38).
What are the key properties of 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide has a molecular weight of 505.63 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 72545990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).