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

C27H29N7O2 — CID 45270879

IUPAC3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCN1CCN(CCCn2nc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3cccnc32)CC1
InChIInChI=1S/C27H29N7O2/c1-31-13-15-33(16-14-31)11-6-12-34-25-19(8-5-10-28-25)24(30-34)23-22(26(35)29-27(23)36)20-17-32(2)21-9-4-3-7-18(20)21/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,29,35,36)
InChIKeyQXIUAIGRXZCFAL-UHFFFAOYSA-N
MW483.58 g/mol
LogP2.13
Rot. Bonds6

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

3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione (PubChem CID 45270879) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
PubChem CID45270879
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCN1CCN(CCCn2nc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3cccnc32)CC1
InChIInChI=1S/C27H29N7O2/c1-31-13-15-33(16-14-31)11-6-12-34-25-19(8-5-10-28-25)24(30-34)23-22(26(35)29-27(23)36)20-17-32(2)21-9-4-3-7-18(20)21/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,29,35,36)
InChIKeyQXIUAIGRXZCFAL-UHFFFAOYSA-N
XLogP2.13
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 52.13
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-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione (CID 45270879) is 3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione is CN1CCN(CCCn2nc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3cccnc32)CC1.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The InChIKey is QXIUAIGRXZCFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-31-13-15-33(16-14-31)11-6-12-34-25-19(8-5-10-28-25)24(30-34)23-22(26(35)29-27(23)36)20-17-32(2)21-9-4-3-7-18(20)21/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,29,35,36).
What are the key properties of 3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione has a molecular weight of 483.58 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 45270879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).