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

C25H17N5O2 — CID 45270026

IUPAC3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3[nH]nc4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C25H17N5O2/c1-29-14-18(16-10-5-6-12-19(16)29)20-21(22-17-11-7-13-26-23(17)28-27-22)25(32)30(24(20)31)15-8-3-2-4-9-15/h2-14H,1H3,(H,26,27,28)
InChIKeyVRLQHFFCQXBTRO-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.93
Rot. Bonds3

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

3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 45270026) has the molecular formula C25H17N5O2 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID45270026
Molecular FormulaC25H17N5O2
Molecular Weight419.44 g/mol
Exact Mass419.14
IUPAC Name3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3[nH]nc4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C25H17N5O2/c1-29-14-18(16-10-5-6-12-19(16)29)20-21(22-17-11-7-13-26-23(17)28-27-22)25(32)30(24(20)31)15-8-3-2-4-9-15/h2-14H,1H3,(H,26,27,28)
InChIKeyVRLQHFFCQXBTRO-UHFFFAOYSA-N
XLogP3.93
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 145946114
Bis-(Indole)maleimide Pyridinophane
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1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide
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3-(1-methyl-1H-indol-3-yl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327669
1-[(3R)-3-[4-amino-3-(1-methylindol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 137348469
Maleimide derivative, 4
CID 22592015
Bisarylmaleimide 1
CID 11283328
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-pyridin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10163439
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10184859
3-(1H-Indazol-3-yl)-4-(1-pyridin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10272623

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione (CID 45270026) is 3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3[nH]nc4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is VRLQHFFCQXBTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2/c1-29-14-18(16-10-5-6-12-19(16)29)20-21(22-17-11-7-13-26-23(17)28-27-22)25(32)30(24(20)31)15-8-3-2-4-9-15/h2-14H,1H3,(H,26,27,28).
What are the key properties of 3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 419.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-1-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 45270026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).