7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole

C37H23N9O — CID 141285844

IUPAC7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole
SMILESc1ccc(-c2c(-c3ccc[nH]3)c(-c3occ4ccccc34)c3[nH]c(-c4cccnn4)c(-c4ncccn4)c3c2-c2cnccn2)nc1
InChIInChI=1S/C37H23N9O/c1-2-9-23-22(8-1)21-47-36(23)32-29(25-11-5-14-40-25)28(24-10-3-4-13-39-24)30(27-20-38-18-19-41-27)31-33(37-42-15-7-16-43-37)34(45-35(31)32)26-12-6-17-44-46-26/h1-21,40,45H
InChIKeyMBZOKKVOVSQIBT-UHFFFAOYSA-N
MW609.65 g/mol
LogP8.01
Rot. Bonds6

About 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole

7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole (PubChem CID 141285844) has the molecular formula C37H23N9O and a molecular weight of 609.65 g/mol. Its IUPAC name is 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole.

Molecular Properties

Compound Name7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole
PubChem CID141285844
Molecular FormulaC37H23N9O
Molecular Weight609.65 g/mol
Exact Mass609.20
IUPAC Name7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole
SMILESc1ccc(-c2c(-c3ccc[nH]3)c(-c3occ4ccccc34)c3[nH]c(-c4cccnn4)c(-c4ncccn4)c3c2-c2cnccn2)nc1
InChIInChI=1S/C37H23N9O/c1-2-9-23-22(8-1)21-47-36(23)32-29(25-11-5-14-40-25)28(24-10-3-4-13-39-24)30(27-20-38-18-19-41-27)31-33(37-42-15-7-16-43-37)34(45-35(31)32)26-12-6-17-44-46-26/h1-21,40,45H
InChIKeyMBZOKKVOVSQIBT-UHFFFAOYSA-N
XLogP8.01
TPSA134.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.65
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole with MolForge

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Related Compounds

3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225574
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417
7-(2-Furyl)-3-(5-indazolylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 21874662
7-(2-Furyl)-3-(5-indolylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 21874675
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46190876
(S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46226096
7-(furan-3-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136273272
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136506881
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136643019
5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137019320
5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137039220

Frequently Asked Questions

What is the IUPAC name of 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole?
The IUPAC name of 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole (CID 141285844) is 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole.
What is the SMILES notation for 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole?
The canonical SMILES for 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole is c1ccc(-c2c(-c3ccc[nH]3)c(-c3occ4ccccc34)c3[nH]c(-c4cccnn4)c(-c4ncccn4)c3c2-c2cnccn2)nc1.
What is the InChIKey of 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole?
The InChIKey is MBZOKKVOVSQIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N9O/c1-2-9-23-22(8-1)21-47-36(23)32-29(25-11-5-14-40-25)28(24-10-3-4-13-39-24)30(27-20-38-18-19-41-27)31-33(37-42-15-7-16-43-37)34(45-35(31)32)26-12-6-17-44-46-26/h1-21,40,45H.
What are the key properties of 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole?
7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole has a molecular weight of 609.65 g/mol, XLogP of 8.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-benzofuran-1-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-1H-indole is sourced from PubChem (CID 141285844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).