N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

C24H28N6O3S — CID 138715489

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C24H28N6O3S/c1-25-23-12-20-19(14-26-23)24(16-13-27-29(2)15-16)28-30(20)17-8-10-18(11-9-17)33-21-6-4-5-7-22(21)34(3,31)32/h4-7,12-15,17-18H,8-11H2,1-3H3,(H,25,26)
InChIKeyRJZWHMGGSFLHAU-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.84
Rot. Bonds6

About N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715489) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715489
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C24H28N6O3S/c1-25-23-12-20-19(14-26-23)24(16-13-27-29(2)15-16)28-30(20)17-8-10-18(11-9-17)33-21-6-4-5-7-22(21)34(3,31)32/h4-7,12-15,17-18H,8-11H2,1-3H3,(H,25,26)
InChIKeyRJZWHMGGSFLHAU-UHFFFAOYSA-N
XLogP3.84
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(1-methylpyrazol-4-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 138715140
1-[4-[(2,6-dimethyl-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715320
1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 162773738
1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715233
1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one
CID 138715386
methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzoate
CID 138715804
N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 138715156
N,N-dimethyl-3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzamide
CID 138715268
4-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide
CID 138715410
2-[4-[1-[4-(2-fluorophenoxy)cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 138715633
1-[4-(1,5-dimethylpyrazol-4-yl)oxycyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715053
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-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715489) is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is RJZWHMGGSFLHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-25-23-12-20-19(14-26-23)24(16-13-27-29(2)15-16)28-30(20)17-8-10-18(11-9-17)33-21-6-4-5-7-22(21)34(3,31)32/h4-7,12-15,17-18H,8-11H2,1-3H3,(H,25,26).
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 480.59 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).