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

C23H25N5O3 — CID 139424753

IUPAC[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone
SMILESCOc1ccc(-c2cnc(C(=O)N3CCC(c4ccc(N)nn4)CC3)cc2OC)cc1
InChIInChI=1S/C23H25N5O3/c1-30-17-5-3-15(4-6-17)18-14-25-20(13-21(18)31-2)23(29)28-11-9-16(10-12-28)19-7-8-22(24)27-26-19/h3-8,13-14,16H,9-12H2,1-2H3,(H2,24,27)
InChIKeyFKQQQQAQSMKZMV-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.16
Rot. Bonds5

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

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone (PubChem CID 139424753) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone
PubChem CID139424753
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone
SMILESCOc1ccc(-c2cnc(C(=O)N3CCC(c4ccc(N)nn4)CC3)cc2OC)cc1
InChIInChI=1S/C23H25N5O3/c1-30-17-5-3-15(4-6-17)18-14-25-20(13-21(18)31-2)23(29)28-11-9-16(10-12-28)19-7-8-22(24)27-26-19/h3-8,13-14,16H,9-12H2,1-2H3,(H2,24,27)
InChIKeyFKQQQQAQSMKZMV-UHFFFAOYSA-N
XLogP3.16
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone?
The IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone (CID 139424753) is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone?
The canonical SMILES for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone is COc1ccc(-c2cnc(C(=O)N3CCC(c4ccc(N)nn4)CC3)cc2OC)cc1.
What is the InChIKey of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone?
The InChIKey is FKQQQQAQSMKZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-30-17-5-3-15(4-6-17)18-14-25-20(13-21(18)31-2)23(29)28-11-9-16(10-12-28)19-7-8-22(24)27-26-19/h3-8,13-14,16H,9-12H2,1-2H3,(H2,24,27).
What are the key properties of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone?
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone has a molecular weight of 419.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 139424753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).