9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole

C35H22N6 — CID 59609449

IUPAC9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole
SMILESc1cncc(-c2cc(-c3cncc4ccccc34)cc(-c3ccc(-n4c5ccccc5c5cccnc54)nc3)n2)c1
InChIInChI=1S/C35H22N6/c1-2-9-27-23(7-1)19-37-22-30(27)26-17-31(24-8-5-15-36-20-24)40-32(18-26)25-13-14-34(39-21-25)41-33-12-4-3-10-28(33)29-11-6-16-38-35(29)41/h1-22H
InChIKeyDKEXSWPMEUZLBA-UHFFFAOYSA-N
MW526.60 g/mol
LogP7.91
Rot. Bonds4

About 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole

9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole (PubChem CID 59609449) has the molecular formula C35H22N6 and a molecular weight of 526.60 g/mol. Its IUPAC name is 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole
PubChem CID59609449
Molecular FormulaC35H22N6
Molecular Weight526.60 g/mol
Exact Mass526.19
IUPAC Name9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole
SMILESc1cncc(-c2cc(-c3cncc4ccccc34)cc(-c3ccc(-n4c5ccccc5c5cccnc54)nc3)n2)c1
InChIInChI=1S/C35H22N6/c1-2-9-27-23(7-1)19-37-22-30(27)26-17-31(24-8-5-15-36-20-24)40-32(18-26)25-13-14-34(39-21-25)41-33-12-4-3-10-28(33)29-11-6-16-38-35(29)41/h1-22H
InChIKeyDKEXSWPMEUZLBA-UHFFFAOYSA-N
XLogP7.91
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole (CID 59609449) is 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole is c1cncc(-c2cc(-c3cncc4ccccc34)cc(-c3ccc(-n4c5ccccc5c5cccnc54)nc3)n2)c1.
What is the InChIKey of 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole?
The InChIKey is DKEXSWPMEUZLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N6/c1-2-9-27-23(7-1)19-37-22-30(27)26-17-31(24-8-5-15-36-20-24)40-32(18-26)25-13-14-34(39-21-25)41-33-12-4-3-10-28(33)29-11-6-16-38-35(29)41/h1-22H.
What are the key properties of 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole?
9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole has a molecular weight of 526.60 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole is sourced from PubChem (CID 59609449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).