1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one

C24H29N7O2 — CID 138715386

IUPAC1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one
SMILESCCn1c(OC2CCC(n3nc(-c4cnn(C)c4)c4cnc(NC)cc43)CC2)cccc1=O
InChIInChI=1S/C24H29N7O2/c1-4-30-22(32)6-5-7-23(30)33-18-10-8-17(9-11-18)31-20-12-21(25-2)26-14-19(20)24(28-31)16-13-27-29(3)15-16/h5-7,12-15,17-18H,4,8-11H2,1-3H3,(H,25,26)
InChIKeyKQUYJHLLVQHWSW-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.62
Rot. Bonds6

About 1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one

1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one (PubChem CID 138715386) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one
PubChem CID138715386
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one
SMILESCCn1c(OC2CCC(n3nc(-c4cnn(C)c4)c4cnc(NC)cc43)CC2)cccc1=O
InChIInChI=1S/C24H29N7O2/c1-4-30-22(32)6-5-7-23(30)33-18-10-8-17(9-11-18)31-20-12-21(25-2)26-14-19(20)24(28-31)16-13-27-29(3)15-16/h5-7,12-15,17-18H,4,8-11H2,1-3H3,(H,25,26)
InChIKeyKQUYJHLLVQHWSW-UHFFFAOYSA-N
XLogP3.62
TPSA91.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.62
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-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715233
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
methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzoate
CID 138715804
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(2-methylsulfonylphenoxy)cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 138715489
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
1-[4-(4-isocyanophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 162773738
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
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-pyridazin-3-yloxycyclohexyl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715162
3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxybenzonitrile
CID 138715535
1-[4-(1,5-dimethylpyrazol-4-yl)oxycyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 138715053

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one?
The IUPAC name of 1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one (CID 138715386) is 1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one.
What is the SMILES notation for 1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one?
The canonical SMILES for 1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one is CCn1c(OC2CCC(n3nc(-c4cnn(C)c4)c4cnc(NC)cc43)CC2)cccc1=O.
What is the InChIKey of 1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one?
The InChIKey is KQUYJHLLVQHWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-4-30-22(32)6-5-7-23(30)33-18-10-8-17(9-11-18)31-20-12-21(25-2)26-14-19(20)24(28-31)16-13-27-29(3)15-16/h5-7,12-15,17-18H,4,8-11H2,1-3H3,(H,25,26).
What are the key properties of 1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one?
1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one has a molecular weight of 447.54 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 1-ethyl-6-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridin-2-one is sourced from PubChem (CID 138715386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).