4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine

C37H60ClN11O4 — CID 158811302

IUPAC4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC(N)C(Oc2ccc(Cl)nn2)C1.COc1ccc(OC2CN(C(C)C)CC2N)cn1.Cc1ccc(OC2CCN(C(C)C)CC2N)nn1
InChIInChI=1S/C13H22N4O.C13H21N3O2.C11H17ClN4O/c1-9(2)17-7-6-12(11(14)8-17)18-13-5-4-10(3)15-16-13;1-9(2)16-7-11(14)12(8-16)18-10-4-5-13(17-3)15-6-10;1-7(2)16-5-8(13)9(6-16)17-11-4-3-10(12)14-15-11/h4-5,9,11-12H,6-8,14H2,1-3H3;4-6,9,11-12H,7-8,14H2,1-3H3;3-4,7-9H,5-6,13H2,1-2H3
InChIKeyIUSKYXBCGZHVJZ-UHFFFAOYSA-N
MW758.41 g/mol
LogP2.79
Rot. Bonds10

About 4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine

4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine (PubChem CID 158811302) has the molecular formula C37H60ClN11O4 and a molecular weight of 758.41 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine
PubChem CID158811302
Molecular FormulaC37H60ClN11O4
Molecular Weight758.41 g/mol
Exact Mass757.45
IUPAC Name4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC(N)C(Oc2ccc(Cl)nn2)C1.COc1ccc(OC2CN(C(C)C)CC2N)cn1.Cc1ccc(OC2CCN(C(C)C)CC2N)nn1
InChIInChI=1S/C13H22N4O.C13H21N3O2.C11H17ClN4O/c1-9(2)17-7-6-12(11(14)8-17)18-13-5-4-10(3)15-16-13;1-9(2)16-7-11(14)12(8-16)18-10-4-5-13(17-3)15-6-10;1-7(2)16-5-8(13)9(6-16)17-11-4-3-10(12)14-15-11/h4-5,9,11-12H,6-8,14H2,1-3H3;4-6,9,11-12H,7-8,14H2,1-3H3;3-4,7-9H,5-6,13H2,1-2H3
InChIKeyIUSKYXBCGZHVJZ-UHFFFAOYSA-N
XLogP2.79
TPSA189.15 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of 4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine (CID 158811302) is 4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine is CC(C)N1CC(N)C(Oc2ccc(Cl)nn2)C1.COc1ccc(OC2CN(C(C)C)CC2N)cn1.Cc1ccc(OC2CCN(C(C)C)CC2N)nn1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine?
The InChIKey is IUSKYXBCGZHVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.C13H21N3O2.C11H17ClN4O/c1-9(2)17-7-6-12(11(14)8-17)18-13-5-4-10(3)15-16-13;1-9(2)16-7-11(14)12(8-16)18-10-4-5-13(17-3)15-6-10;1-7(2)16-5-8(13)9(6-16)17-11-4-3-10(12)14-15-11/h4-5,9,11-12H,6-8,14H2,1-3H3;4-6,9,11-12H,7-8,14H2,1-3H3;3-4,7-9H,5-6,13H2,1-2H3.
What are the key properties of 4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine?
4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine has a molecular weight of 758.41 g/mol, XLogP of 2.79, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)oxy-1-propan-2-ylpyrrolidin-3-amine;4-[(6-methoxy-3-pyridinyl)oxy]-1-propan-2-ylpyrrolidin-3-amine;4-(6-methylpyridazin-3-yl)oxy-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 158811302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).