4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H30N6O4 — CID 176919272

IUPAC4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cnc(OC2CCC(OC3=CC(C)(N4CCOCC4)Cn4ncc(C#N)c43)CC2)nc1
InChIInChI=1S/C24H30N6O4/c1-24(29-7-9-32-10-8-29)11-21(22-17(12-25)13-28-30(22)16-24)33-18-3-5-19(6-4-18)34-23-26-14-20(31-2)15-27-23/h11,13-15,18-19H,3-10,16H2,1-2H3
InChIKeyREBQUBPZUXNNGG-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.41
Rot. Bonds6

About 4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 176919272) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID176919272
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cnc(OC2CCC(OC3=CC(C)(N4CCOCC4)Cn4ncc(C#N)c43)CC2)nc1
InChIInChI=1S/C24H30N6O4/c1-24(29-7-9-32-10-8-29)11-21(22-17(12-25)13-28-30(22)16-24)33-18-3-5-19(6-4-18)34-23-26-14-20(31-2)15-27-23/h11,13-15,18-19H,3-10,16H2,1-2H3
InChIKeyREBQUBPZUXNNGG-UHFFFAOYSA-N
XLogP2.41
TPSA107.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 176919272) is 4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cnc(OC2CCC(OC3=CC(C)(N4CCOCC4)Cn4ncc(C#N)c43)CC2)nc1.
What is the InChIKey of 4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is REBQUBPZUXNNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-24(29-7-9-32-10-8-29)11-21(22-17(12-25)13-28-30(22)16-24)33-18-3-5-19(6-4-18)34-23-26-14-20(31-2)15-27-23/h11,13-15,18-19H,3-10,16H2,1-2H3.
What are the key properties of 4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 466.54 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methoxypyrimidin-2-yl)oxycyclohexyl]oxy-6-methyl-6-morpholin-4-yl-7H-pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 176919272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).