3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C24H19N7O2 — CID 45270051

IUPAC3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCn4ccnc4)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H19N7O2/c1-29-13-17(15-5-2-3-7-18(15)29)19-20(24(33)27-23(19)32)21-16-6-4-8-26-22(16)31(28-21)12-11-30-10-9-25-14-30/h2-10,13-14H,11-12H2,1H3,(H,27,32,33)
InChIKeyRGWHOJFTCGCLER-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.39
Rot. Bonds5

About 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 45270051) has the molecular formula C24H19N7O2 and a molecular weight of 437.46 g/mol. Its IUPAC name is 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID45270051
Molecular FormulaC24H19N7O2
Molecular Weight437.46 g/mol
Exact Mass437.16
IUPAC Name3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCn4ccnc4)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H19N7O2/c1-29-13-17(15-5-2-3-7-18(15)29)19-20(24(33)27-23(19)32)21-16-6-4-8-26-22(16)31(28-21)12-11-30-10-9-25-14-30/h2-10,13-14H,11-12H2,1H3,(H,27,32,33)
InChIKeyRGWHOJFTCGCLER-UHFFFAOYSA-N
XLogP2.39
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 45270051) is 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3nn(CCn4ccnc4)c4ncccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is RGWHOJFTCGCLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2/c1-29-13-17(15-5-2-3-7-18(15)29)19-20(24(33)27-23(19)32)21-16-6-4-8-26-22(16)31(28-21)12-11-30-10-9-25-14-30/h2-10,13-14H,11-12H2,1H3,(H,27,32,33).
What are the key properties of 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 437.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 45270051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).