3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione

C28H30N6O3 — CID 72708901

IUPAC3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione
SMILESCC(C)n1cc(C2=C(c3nn(CCCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H30N6O3/c1-18(2)33-17-21(19-7-3-4-9-22(19)33)23-24(28(36)30-27(23)35)25-20-8-5-10-29-26(20)34(31-25)12-6-11-32-13-15-37-16-14-32/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,30,35,36)
InChIKeyPCTRLDFLNMQXLS-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.26
Rot. Bonds7

About 3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione

3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione (PubChem CID 72708901) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione
PubChem CID72708901
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione
SMILESCC(C)n1cc(C2=C(c3nn(CCCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H30N6O3/c1-18(2)33-17-21(19-7-3-4-9-22(19)33)23-24(28(36)30-27(23)35)25-20-8-5-10-29-26(20)34(31-25)12-6-11-32-13-15-37-16-14-32/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,30,35,36)
InChIKeyPCTRLDFLNMQXLS-UHFFFAOYSA-N
XLogP3.26
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.26
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-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione (CID 72708901) is 3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione is CC(C)n1cc(C2=C(c3nn(CCCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is PCTRLDFLNMQXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-18(2)33-17-21(19-7-3-4-9-22(19)33)23-24(28(36)30-27(23)35)25-20-8-5-10-29-26(20)34(31-25)12-6-11-32-13-15-37-16-14-32/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,30,35,36).
What are the key properties of 3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione?
3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 498.59 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 72708901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).