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

C22H19N5O3 — CID 45269191

IUPAC3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCO)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H19N5O3/c1-26-12-15(13-6-2-3-8-16(13)26)17-18(22(30)24-21(17)29)19-14-7-4-9-23-20(14)27(25-19)10-5-11-28/h2-4,6-9,12,28H,5,10-11H2,1H3,(H,24,29,30)
InChIKeyGGAMBDJPMPWUCD-UHFFFAOYSA-N
MW401.43 g/mol
LogP1.87
Rot. Bonds5

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

3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 45269191) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID45269191
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCO)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H19N5O3/c1-26-12-15(13-6-2-3-8-16(13)26)17-18(22(30)24-21(17)29)19-14-7-4-9-23-20(14)27(25-19)10-5-11-28/h2-4,6-9,12,28H,5,10-11H2,1H3,(H,24,29,30)
InChIKeyGGAMBDJPMPWUCD-UHFFFAOYSA-N
XLogP1.87
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 45269191) is 3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3nn(CCCO)c4ncccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is GGAMBDJPMPWUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-26-12-15(13-6-2-3-8-16(13)26)17-18(22(30)24-21(17)29)19-14-7-4-9-23-20(14)27(25-19)10-5-11-28/h2-4,6-9,12,28H,5,10-11H2,1H3,(H,24,29,30).
What are the key properties of 3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 401.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 45269191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).