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

C30H23N7O2 — CID 45271702

IUPAC3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCn4ccnc4)c4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C30H23N7O2/c1-34-18-23(21-10-5-6-12-24(21)34)25-26(30(39)37(29(25)38)20-8-3-2-4-9-20)27-22-11-7-13-32-28(22)36(33-27)17-16-35-15-14-31-19-35/h2-15,18-19H,16-17H2,1H3
InChIKeyYGEBGJNCVOSBPE-UHFFFAOYSA-N
MW513.56 g/mol
LogP4.30
Rot. Bonds6

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

3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione (PubChem CID 45271702) has the molecular formula C30H23N7O2 and a molecular weight of 513.56 g/mol. Its IUPAC name is 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione
PubChem CID45271702
Molecular FormulaC30H23N7O2
Molecular Weight513.56 g/mol
Exact Mass513.19
IUPAC Name3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCn4ccnc4)c4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C30H23N7O2/c1-34-18-23(21-10-5-6-12-24(21)34)25-26(30(39)37(29(25)38)20-8-3-2-4-9-20)27-22-11-7-13-32-28(22)36(33-27)17-16-35-15-14-31-19-35/h2-15,18-19H,16-17H2,1H3
InChIKeyYGEBGJNCVOSBPE-UHFFFAOYSA-N
XLogP4.30
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.56
LogP ≤ 54.30
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-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-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)-1-phenylpyrrole-2,5-dione (CID 45271702) is 3-[1-(2-imidazol-1-ylethyl)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-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-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)-1-phenylpyrrole-2,5-dione is Cn1cc(C2=C(c3nn(CCn4ccnc4)c4ncccc34)C(=O)N(c3ccccc3)C2=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)-1-phenylpyrrole-2,5-dione?
The InChIKey is YGEBGJNCVOSBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N7O2/c1-34-18-23(21-10-5-6-12-24(21)34)25-26(30(39)37(29(25)38)20-8-3-2-4-9-20)27-22-11-7-13-32-28(22)36(33-27)17-16-35-15-14-31-19-35/h2-15,18-19H,16-17H2,1H3.
What are the key properties of 3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione?
3-[1-(2-imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione has a molecular weight of 513.56 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 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)-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 45271702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).