1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine

C32H21N9 — CID 118322667

IUPAC1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine
SMILESc1ccc(-n2c(-c3nc(-c4ncccn4)n4ccccc34)ccc2-c2nc(-c3ncccn3)n3ccccc23)cc1
InChIInChI=1S/C32H21N9/c1-2-10-22(11-3-1)41-25(27-23-12-4-6-20-39(23)31(37-27)29-33-16-8-17-34-29)14-15-26(41)28-24-13-5-7-21-40(24)32(38-28)30-35-18-9-19-36-30/h1-21H
InChIKeyFGLKGXNUZAMUQY-UHFFFAOYSA-N
MW531.58 g/mol
LogP6.02
Rot. Bonds5

About 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine

1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine (PubChem CID 118322667) has the molecular formula C32H21N9 and a molecular weight of 531.58 g/mol. Its IUPAC name is 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine
PubChem CID118322667
Molecular FormulaC32H21N9
Molecular Weight531.58 g/mol
Exact Mass531.19
IUPAC Name1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine
SMILESc1ccc(-n2c(-c3nc(-c4ncccn4)n4ccccc34)ccc2-c2nc(-c3ncccn3)n3ccccc23)cc1
InChIInChI=1S/C32H21N9/c1-2-10-22(11-3-1)41-25(27-23-12-4-6-20-39(23)31(37-27)29-33-16-8-17-34-29)14-15-26(41)28-24-13-5-7-21-40(24)32(38-28)30-35-18-9-19-36-30/h1-21H
InChIKeyFGLKGXNUZAMUQY-UHFFFAOYSA-N
XLogP6.02
TPSA91.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.58
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine with MolForge

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Related Compounds

1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 118322669
3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
CID 132506865
3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine
CID 118322664
1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
CID 132965985
3-(2-fluorophenyl)-1-phenylimidazo[1,5-a]pyridine
CID 132581650
2-[3-(4-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol
CID 155115121
3-(3-methylphenyl)-1-pyridin-2-ylimidazo[1,5-a]pyridine
CID 11737712
2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid
CID 169159865
4-methyl-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58704078
phenyl-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207383
3-(furan-2-yl)-1-phenylimidazo[1,5-a]pyridine
CID 728608
8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline
CID 143850909

Frequently Asked Questions

What is the IUPAC name of 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine?
The IUPAC name of 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine (CID 118322667) is 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine is c1ccc(-n2c(-c3nc(-c4ncccn4)n4ccccc34)ccc2-c2nc(-c3ncccn3)n3ccccc23)cc1.
What is the InChIKey of 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine?
The InChIKey is FGLKGXNUZAMUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N9/c1-2-10-22(11-3-1)41-25(27-23-12-4-6-20-39(23)31(37-27)29-33-16-8-17-34-29)14-15-26(41)28-24-13-5-7-21-40(24)32(38-28)30-35-18-9-19-36-30/h1-21H.
What are the key properties of 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine?
1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine has a molecular weight of 531.58 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-phenyl-5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)pyrrol-2-yl]-3-pyrimidin-2-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 118322667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).