6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one

C21H24N8O2 — CID 138682923

IUPAC6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
SMILESCn1cc(-c2nn(C3CCC(Oc4ccc(=O)n(C)n4)CC3)c3cc(N)ncc23)cn1
InChIInChI=1S/C21H24N8O2/c1-27-12-13(10-24-27)21-16-11-23-18(22)9-17(16)29(26-21)14-3-5-15(6-4-14)31-19-7-8-20(30)28(2)25-19/h7-12,14-15H,3-6H2,1-2H3,(H2,22,23)
InChIKeyOEONGQOAJXZRPF-UHFFFAOYSA-N
MW420.48 g/mol
LogP2.07
Rot. Bonds4

About 6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one

6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one (PubChem CID 138682923) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
PubChem CID138682923
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
SMILESCn1cc(-c2nn(C3CCC(Oc4ccc(=O)n(C)n4)CC3)c3cc(N)ncc23)cn1
InChIInChI=1S/C21H24N8O2/c1-27-12-13(10-24-27)21-16-11-23-18(22)9-17(16)29(26-21)14-3-5-15(6-4-14)31-19-7-8-20(30)28(2)25-19/h7-12,14-15H,3-6H2,1-2H3,(H2,22,23)
InChIKeyOEONGQOAJXZRPF-UHFFFAOYSA-N
XLogP2.07
TPSA118.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[4-[6-(4-isocyanoanilino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
CID 162773684
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 142603808
2-(2-methoxyethyl)-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one
CID 138715081
2-[4-[6-(ethylamino)-1-[4-(1-methyl-6-oxopyridazin-3-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
CID 138715389
6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
CID 138715032
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(1-methylpyrazol-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 138715140
6-[4-[3-[4-[[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]methyl]phenyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
CID 138715128
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715162
1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one
CID 138715386
6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
CID 138715022
6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
CID 138715065
4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide
CID 138715410

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one (CID 138682923) is 6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one is Cn1cc(-c2nn(C3CCC(Oc4ccc(=O)n(C)n4)CC3)c3cc(N)ncc23)cn1.
What is the InChIKey of 6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?
The InChIKey is OEONGQOAJXZRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-27-12-13(10-24-27)21-16-11-23-18(22)9-17(16)29(26-21)14-3-5-15(6-4-14)31-19-7-8-20(30)28(2)25-19/h7-12,14-15H,3-6H2,1-2H3,(H2,22,23).
What are the key properties of 6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?
6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one has a molecular weight of 420.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-amino-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one is sourced from PubChem (CID 138682923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).