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

C25H28N6O3 — CID 139424842

IUPAC[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1-c1ccc(OCC2CC2)nc1
InChIInChI=1S/C25H28N6O3/c1-33-22-12-21(25(32)31-10-8-17(9-11-31)20-5-6-23(26)30-29-20)27-14-19(22)18-4-7-24(28-13-18)34-15-16-2-3-16/h4-7,12-14,16-17H,2-3,8-11,15H2,1H3,(H2,26,30)
InChIKeyUMCWHOQSMFEOPG-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.33
Rot. Bonds7

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

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone (PubChem CID 139424842) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone
PubChem CID139424842
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1-c1ccc(OCC2CC2)nc1
InChIInChI=1S/C25H28N6O3/c1-33-22-12-21(25(32)31-10-8-17(9-11-31)20-5-6-23(26)30-29-20)27-14-19(22)18-4-7-24(28-13-18)34-15-16-2-3-16/h4-7,12-14,16-17H,2-3,8-11,15H2,1H3,(H2,26,30)
InChIKeyUMCWHOQSMFEOPG-UHFFFAOYSA-N
XLogP3.33
TPSA116.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone
CID 139424826
[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-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-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
[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
CID 176715559
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 154576135
[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium
CID 176715571
[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 25100625
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone
CID 56778296

Frequently Asked Questions

What is the IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone?
The IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone (CID 139424842) is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone.
What is the SMILES notation for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone?
The canonical SMILES for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone is COc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1-c1ccc(OCC2CC2)nc1.
What is the InChIKey of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone?
The InChIKey is UMCWHOQSMFEOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-33-22-12-21(25(32)31-10-8-17(9-11-31)20-5-6-23(26)30-29-20)27-14-19(22)18-4-7-24(28-13-18)34-15-16-2-3-16/h4-7,12-14,16-17H,2-3,8-11,15H2,1H3,(H2,26,30).
What are the key properties of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone?
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone has a molecular weight of 460.54 g/mol, XLogP of 3.33, 7 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-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone is sourced from PubChem (CID 139424842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).