1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine

C32H27N7 — CID 58087669

IUPAC1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine
SMILESCCCn1cccc1C(c1c[nH]c2ncc(-c3cccnc3)cc12)n1ccc2cc(-c3cccnc3)cnc21
InChIInChI=1S/C32H27N7/c1-2-12-38-13-5-8-29(38)30(28-21-36-31-27(28)16-26(19-35-31)24-7-4-11-34-18-24)39-14-9-22-15-25(20-37-32(22)39)23-6-3-10-33-17-23/h3-11,13-21,30H,2,12H2,1H3,(H,35,36)
InChIKeyFEGVMBLWEUJRPP-UHFFFAOYSA-N
MW509.62 g/mol
LogP6.89
Rot. Bonds7

About 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine

1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine (PubChem CID 58087669) has the molecular formula C32H27N7 and a molecular weight of 509.62 g/mol. Its IUPAC name is 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine
PubChem CID58087669
Molecular FormulaC32H27N7
Molecular Weight509.62 g/mol
Exact Mass509.23
IUPAC Name1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine
SMILESCCCn1cccc1C(c1c[nH]c2ncc(-c3cccnc3)cc12)n1ccc2cc(-c3cccnc3)cnc21
InChIInChI=1S/C32H27N7/c1-2-12-38-13-5-8-29(38)30(28-21-36-31-27(28)16-26(19-35-31)24-7-4-11-34-18-24)39-14-9-22-15-25(20-37-32(22)39)23-6-3-10-33-17-23/h3-11,13-21,30H,2,12H2,1H3,(H,35,36)
InChIKeyFEGVMBLWEUJRPP-UHFFFAOYSA-N
XLogP6.89
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.62
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine (CID 58087669) is 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine is CCCn1cccc1C(c1c[nH]c2ncc(-c3cccnc3)cc12)n1ccc2cc(-c3cccnc3)cnc21.
What is the InChIKey of 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine?
The InChIKey is FEGVMBLWEUJRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N7/c1-2-12-38-13-5-8-29(38)30(28-21-36-31-27(28)16-26(19-35-31)24-7-4-11-34-18-24)39-14-9-22-15-25(20-37-32(22)39)23-6-3-10-33-17-23/h3-11,13-21,30H,2,12H2,1H3,(H,35,36).
What are the key properties of 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine?
1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine has a molecular weight of 509.62 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylpyrrol-2-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58087669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).