[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone

C24H25N5O4 — CID 139424826

IUPAC[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H25N5O4/c1-31-21-13-19(26-14-17(21)16-2-4-20-22(12-16)33-11-10-32-20)24(30)29-8-6-15(7-9-29)18-3-5-23(25)28-27-18/h2-5,12-15H,6-11H2,1H3,(H2,25,28)
InChIKeyMDNKWKRSSBGJPD-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.92
Rot. Bonds4

About [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone (PubChem CID 139424826) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone
PubChem CID139424826
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H25N5O4/c1-31-21-13-19(26-14-17(21)16-2-4-20-22(12-16)33-11-10-32-20)24(30)29-8-6-15(7-9-29)18-3-5-23(25)28-27-18/h2-5,12-15H,6-11H2,1H3,(H2,25,28)
InChIKeyMDNKWKRSSBGJPD-UHFFFAOYSA-N
XLogP2.92
TPSA112.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone with MolForge

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Related Compounds

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone
CID 139424753
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone
CID 139424842
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenoxy)-2-pyridinyl]methanone
CID 138674698
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
CID 138674755
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155411279
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 139424769
[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33004158
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 110264819
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride
CID 165059205
[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium
CID 176715571
[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92615489
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-chlorophenoxy)phenyl]methanone
CID 139416304

Frequently Asked Questions

What is the IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone?
The IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone (CID 139424826) is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone.
What is the SMILES notation for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone?
The canonical SMILES for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone is COc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone?
The InChIKey is MDNKWKRSSBGJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-31-21-13-19(26-14-17(21)16-2-4-20-22(12-16)33-11-10-32-20)24(30)29-8-6-15(7-9-29)18-3-5-23(25)28-27-18/h2-5,12-15H,6-11H2,1H3,(H2,25,28).
What are the key properties of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone?
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone has a molecular weight of 447.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone is sourced from PubChem (CID 139424826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).