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

C26H17N9 — CID 118322679

IUPAC3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine
SMILESc1cnc(-c2nc(-c3ccc(-c4nc(-c5ncccn5)n5ccccc45)[nH]3)c3ccccn23)nc1
InChIInChI=1S/C26H17N9/c1-3-15-34-19(7-1)21(32-25(34)23-27-11-5-12-28-23)17-9-10-18(31-17)22-20-8-2-4-16-35(20)26(33-22)24-29-13-6-14-30-24/h1-16,31H
InChIKeyIDQHLIRGSUIBIB-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.56
Rot. Bonds4

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

3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine (PubChem CID 118322679) has the molecular formula C26H17N9 and a molecular weight of 455.49 g/mol. Its IUPAC name is 3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine
PubChem CID118322679
Molecular FormulaC26H17N9
Molecular Weight455.49 g/mol
Exact Mass455.16
IUPAC Name3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine
SMILESc1cnc(-c2nc(-c3ccc(-c4nc(-c5ncccn5)n5ccccc45)[nH]3)c3ccccn23)nc1
InChIInChI=1S/C26H17N9/c1-3-15-34-19(7-1)21(32-25(34)23-27-11-5-12-28-23)17-9-10-18(31-17)22-20-8-2-4-16-35(20)26(33-22)24-29-13-6-14-30-24/h1-16,31H
InChIKeyIDQHLIRGSUIBIB-UHFFFAOYSA-N
XLogP4.56
TPSA101.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine (CID 118322679) is 3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine is c1cnc(-c2nc(-c3ccc(-c4nc(-c5ncccn5)n5ccccc45)[nH]3)c3ccccn23)nc1.
What is the InChIKey of 3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine?
The InChIKey is IDQHLIRGSUIBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N9/c1-3-15-34-19(7-1)21(32-25(34)23-27-11-5-12-28-23)17-9-10-18(31-17)22-20-8-2-4-16-35(20)26(33-22)24-29-13-6-14-30-24/h1-16,31H.
What are the key properties of 3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine?
3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine has a molecular weight of 455.49 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yl-1-[5-(3-pyrimidin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 118322679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).