2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid

C24H30N6O5 — CID 57391120

IUPAC2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid
SMILESCCCOCCn1c(=O)nc(N2CCC(CC(=O)O)CC2)c2nnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-14-18(17-4-5-20(34-2)25-15-17)27-28-22(19)23(26-24(30)33)29-8-6-16(7-9-29)13-21(31)32/h4-5,14-16H,3,6-13H2,1-2H3,(H,31,32)
InChIKeyNPWPWSPYRJFQHD-UHFFFAOYSA-N
MW482.54 g/mol
LogP2.37
Rot. Bonds10

About 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid

2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid (PubChem CID 57391120) has the molecular formula C24H30N6O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid
PubChem CID57391120
Molecular FormulaC24H30N6O5
Molecular Weight482.54 g/mol
Exact Mass482.23
IUPAC Name2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid
SMILESCCCOCCn1c(=O)nc(N2CCC(CC(=O)O)CC2)c2nnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-14-18(17-4-5-20(34-2)25-15-17)27-28-22(19)23(26-24(30)33)29-8-6-16(7-9-29)13-21(31)32/h4-5,14-16H,3,6-13H2,1-2H3,(H,31,32)
InChIKeyNPWPWSPYRJFQHD-UHFFFAOYSA-N
XLogP2.37
TPSA132.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid (CID 57391120) is 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid is CCCOCCn1c(=O)nc(N2CCC(CC(=O)O)CC2)c2nnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid?
The InChIKey is NPWPWSPYRJFQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-14-18(17-4-5-20(34-2)25-15-17)27-28-22(19)23(26-24(30)33)29-8-6-16(7-9-29)13-21(31)32/h4-5,14-16H,3,6-13H2,1-2H3,(H,31,32).
What are the key properties of 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid?
2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid has a molecular weight of 482.54 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 57391120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).