1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one

C24H18N4O3 — CID 58065928

IUPAC1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(c1c[nH]c2ncc(O)cc12)c1cccc2c1ccn2C(=O)CCc1cccnc1
InChIInChI=1S/C24H18N4O3/c29-16-11-19-20(14-27-24(19)26-13-16)23(31)18-4-1-5-21-17(18)8-10-28(21)22(30)7-6-15-3-2-9-25-12-15/h1-5,8-14,29H,6-7H2,(H,26,27)
InChIKeyNBJMFSFKWWRZLT-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.12
Rot. Bonds5

About 1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one

1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 58065928) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID58065928
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(c1c[nH]c2ncc(O)cc12)c1cccc2c1ccn2C(=O)CCc1cccnc1
InChIInChI=1S/C24H18N4O3/c29-16-11-19-20(14-27-24(19)26-13-16)23(31)18-4-1-5-21-17(18)8-10-28(21)22(30)7-6-15-3-2-9-25-12-15/h1-5,8-14,29H,6-7H2,(H,26,27)
InChIKeyNBJMFSFKWWRZLT-UHFFFAOYSA-N
XLogP4.12
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one (CID 58065928) is 1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one is O=C(c1c[nH]c2ncc(O)cc12)c1cccc2c1ccn2C(=O)CCc1cccnc1.
What is the InChIKey of 1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is NBJMFSFKWWRZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-16-11-19-20(14-27-24(19)26-13-16)23(31)18-4-1-5-21-17(18)8-10-28(21)22(30)7-6-15-3-2-9-25-12-15/h1-5,8-14,29H,6-7H2,(H,26,27).
What are the key properties of 1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 410.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indol-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 58065928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).