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

C31H25N7O2 — CID 45269165

IUPAC3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCn4ccnc4)c4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C31H25N7O2/c1-35-19-24(22-11-5-6-13-25(22)35)26-27(31(40)38(30(26)39)21-9-3-2-4-10-21)28-23-12-7-14-33-29(23)37(34-28)17-8-16-36-18-15-32-20-36/h2-7,9-15,18-20H,8,16-17H2,1H3
InChIKeyRYYIPBVICPLOJE-UHFFFAOYSA-N
MW527.59 g/mol
LogP4.69
Rot. Bonds7

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

3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione (PubChem CID 45269165) has the molecular formula C31H25N7O2 and a molecular weight of 527.59 g/mol. Its IUPAC name is 3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione
PubChem CID45269165
Molecular FormulaC31H25N7O2
Molecular Weight527.59 g/mol
Exact Mass527.21
IUPAC Name3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCn4ccnc4)c4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C31H25N7O2/c1-35-19-24(22-11-5-6-13-25(22)35)26-27(31(40)38(30(26)39)21-9-3-2-4-10-21)28-23-12-7-14-33-29(23)37(34-28)17-8-16-36-18-15-32-20-36/h2-7,9-15,18-20H,8,16-17H2,1H3
InChIKeyRYYIPBVICPLOJE-UHFFFAOYSA-N
XLogP4.69
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.59
LogP ≤ 54.69
H-Bond Donors ≤ 50
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-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione (CID 45269165) is 3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione is Cn1cc(C2=C(c3nn(CCCn4ccnc4)c4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21.
What is the InChIKey of 3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione?
The InChIKey is RYYIPBVICPLOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N7O2/c1-35-19-24(22-11-5-6-13-25(22)35)26-27(31(40)38(30(26)39)21-9-3-2-4-10-21)28-23-12-7-14-33-29(23)37(34-28)17-8-16-36-18-15-32-20-36/h2-7,9-15,18-20H,8,16-17H2,1H3.
What are the key properties of 3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione?
3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione has a molecular weight of 527.59 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 45269165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).