6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione

C18H25N5O2 — CID 3075245

IUPAC6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cc2c(c(N3CCN(C)CC3)n1)C(=O)N(CN1CCCC1)C2=O
InChIInChI=1S/C18H25N5O2/c1-13-11-14-15(16(19-13)22-9-7-20(2)8-10-22)18(25)23(17(14)24)12-21-5-3-4-6-21/h11H,3-10,12H2,1-2H3
InChIKeyMDDJTSVAKBLQAU-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.79
Rot. Bonds3

About 6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione

6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 3075245) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID3075245
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cc2c(c(N3CCN(C)CC3)n1)C(=O)N(CN1CCCC1)C2=O
InChIInChI=1S/C18H25N5O2/c1-13-11-14-15(16(19-13)22-9-7-20(2)8-10-22)18(25)23(17(14)24)12-21-5-3-4-6-21/h11H,3-10,12H2,1-2H3
InChIKeyMDDJTSVAKBLQAU-UHFFFAOYSA-N
XLogP0.79
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 3075245) is 6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione is Cc1cc2c(c(N3CCN(C)CC3)n1)C(=O)N(CN1CCCC1)C2=O.
What is the InChIKey of 6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is MDDJTSVAKBLQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-11-14-15(16(19-13)22-9-7-20(2)8-10-22)18(25)23(17(14)24)12-21-5-3-4-6-21/h11H,3-10,12H2,1-2H3.
What are the key properties of 6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 343.43 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 3075245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).