2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine

C25H29N13O2 — CID 177329287

IUPAC2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
SMILESCc1cc(C2CCCN2CCCOc2ccc3nnnn3n2)cc(C2CN(c3ccc4nnnn4n3)CCO2)n1
InChIInChI=1S/C25H29N13O2/c1-17-14-18(20-4-2-9-35(20)10-3-12-40-25-8-7-23-28-32-34-38(23)30-25)15-19(26-17)21-16-36(11-13-39-21)24-6-5-22-27-31-33-37(22)29-24/h5-8,14-15,20-21H,2-4,9-13,16H2,1H3
InChIKeyPEJRTKRBXBHDNR-UHFFFAOYSA-N
MW543.60 g/mol
LogP1.24
Rot. Bonds8

About 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine

2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine (PubChem CID 177329287) has the molecular formula C25H29N13O2 and a molecular weight of 543.60 g/mol. Its IUPAC name is 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine.

Molecular Properties

Compound Name2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
PubChem CID177329287
Molecular FormulaC25H29N13O2
Molecular Weight543.60 g/mol
Exact Mass543.26
IUPAC Name2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
SMILESCc1cc(C2CCCN2CCCOc2ccc3nnnn3n2)cc(C2CN(c3ccc4nnnn4n3)CCO2)n1
InChIInChI=1S/C25H29N13O2/c1-17-14-18(20-4-2-9-35(20)10-3-12-40-25-8-7-23-28-32-34-38(23)30-25)15-19(26-17)21-16-36(11-13-39-21)24-6-5-22-27-31-33-37(22)29-24/h5-8,14-15,20-21H,2-4,9-13,16H2,1H3
InChIKeyPEJRTKRBXBHDNR-UHFFFAOYSA-N
XLogP1.24
TPSA149.77 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.60
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine with MolForge

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Related Compounds

2-(4-methyl-1,3-oxazol-2-yl)-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 177329018
6-[(1-methylpiperidin-3-yl)methoxy]tetrazolo[1,5-b]pyridazine
CID 177329125
6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine
CID 177329391
N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine-2-carboxamide
CID 177329084
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine
CID 114042524
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 94135439
(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
CID 95580708
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
(3aS,9aS,9bR)-2-(tetrazolo[1,5-b]pyridazin-6-yl)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine
CID 98847689
6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 71933519
2-methyl-6-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 47983394
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
The IUPAC name of 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine (CID 177329287) is 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine.
What is the SMILES notation for 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
The canonical SMILES for 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine is Cc1cc(C2CCCN2CCCOc2ccc3nnnn3n2)cc(C2CN(c3ccc4nnnn4n3)CCO2)n1.
What is the InChIKey of 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
The InChIKey is PEJRTKRBXBHDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N13O2/c1-17-14-18(20-4-2-9-35(20)10-3-12-40-25-8-7-23-28-32-34-38(23)30-25)15-19(26-17)21-16-36(11-13-39-21)24-6-5-22-27-31-33-37(22)29-24/h5-8,14-15,20-21H,2-4,9-13,16H2,1H3.
What are the key properties of 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine has a molecular weight of 543.60 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-4-[1-[3-(tetrazolo[1,5-b]pyridazin-6-yloxy)propyl]pyrrolidin-2-yl]-2-pyridinyl]-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine is sourced from PubChem (CID 177329287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).