4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine

C18H23N5 — CID 15713329

IUPAC4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine
SMILESCc1nnc(NCCC2CCCN2C)c2cc3ccccn3c12
InChIInChI=1S/C18H23N5/c1-13-17-16(12-15-6-3-4-11-23(15)17)18(21-20-13)19-9-8-14-7-5-10-22(14)2/h3-4,6,11-12,14H,5,7-10H2,1-2H3,(H,19,21)
InChIKeySCKPXKBHFUGJLW-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.09
Rot. Bonds4

About 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine

4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine (PubChem CID 15713329) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine
PubChem CID15713329
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine
SMILESCc1nnc(NCCC2CCCN2C)c2cc3ccccn3c12
InChIInChI=1S/C18H23N5/c1-13-17-16(12-15-6-3-4-11-23(15)17)18(21-20-13)19-9-8-14-7-5-10-22(14)2/h3-4,6,11-12,14H,5,7-10H2,1-2H3,(H,19,21)
InChIKeySCKPXKBHFUGJLW-UHFFFAOYSA-N
XLogP3.09
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine?
The IUPAC name of 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine (CID 15713329) is 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine?
The canonical SMILES for 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine is Cc1nnc(NCCC2CCCN2C)c2cc3ccccn3c12.
What is the InChIKey of 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine?
The InChIKey is SCKPXKBHFUGJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-13-17-16(12-15-6-3-4-11-23(15)17)18(21-20-13)19-9-8-14-7-5-10-22(14)2/h3-4,6,11-12,14H,5,7-10H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine?
4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine has a molecular weight of 309.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine is sourced from PubChem (CID 15713329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).