N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine

C22H26N8O — CID 138715162

IUPACN-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C22H26N8O/c1-3-23-20-11-19-18(13-24-20)22(15-12-26-29(2)14-15)28-30(19)16-6-8-17(9-7-16)31-21-5-4-10-25-27-21/h4-5,10-14,16-17H,3,6-9H2,1-2H3,(H,23,24)
InChIKeyQOBXXWBQZMXLLJ-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.62
Rot. Bonds6

About N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715162) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715162
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC NameN-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C22H26N8O/c1-3-23-20-11-19-18(13-24-20)22(15-12-26-29(2)14-15)28-30(19)16-6-8-17(9-7-16)31-21-5-4-10-25-27-21/h4-5,10-14,16-17H,3,6-9H2,1-2H3,(H,23,24)
InChIKeyQOBXXWBQZMXLLJ-UHFFFAOYSA-N
XLogP3.62
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(1,5-dimethylpyrazol-4-yl)oxycyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715053
3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile
CID 138715535
1-[4-[[3-bromo-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715497
3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-N-propan-2-ylbenzamide
CID 138715317
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(1-methylpyrazol-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 138715140
2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
CID 162773731
1-[4-[6-(ethylamino)-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 163526387
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
1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one
CID 138715386
1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715233
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 138715489
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715162) is N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnn2)CC1.
What is the InChIKey of N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is QOBXXWBQZMXLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-3-23-20-11-19-18(13-24-20)22(15-12-26-29(2)14-15)28-30(19)16-6-8-17(9-7-16)31-21-5-4-10-25-27-21/h4-5,10-14,16-17H,3,6-9H2,1-2H3,(H,23,24).
What are the key properties of N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 418.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).