4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine

C25H35N5O2 — CID 121379344

IUPAC4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1cc(OCC2CCCCC2)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1
InChIInChI=1S/C25H35N5O2/c1-19-14-23-25(22-16-26-29(17-22)9-8-28-10-12-31-13-11-28)20(2)27-30(23)24(15-19)32-18-21-6-4-3-5-7-21/h14-17,21H,3-13,18H2,1-2H3
InChIKeyXKJHKMVZFUEVBM-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.11
Rot. Bonds7

About 4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 121379344) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID121379344
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1cc(OCC2CCCCC2)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1
InChIInChI=1S/C25H35N5O2/c1-19-14-23-25(22-16-26-29(17-22)9-8-28-10-12-31-13-11-28)20(2)27-30(23)24(15-19)32-18-21-6-4-3-5-7-21/h14-17,21H,3-13,18H2,1-2H3
InChIKeyXKJHKMVZFUEVBM-UHFFFAOYSA-N
XLogP4.11
TPSA56.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (CID 121379344) is 4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine is Cc1cc(OCC2CCCCC2)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1.
What is the InChIKey of 4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is XKJHKMVZFUEVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-19-14-23-25(22-16-26-29(17-22)9-8-28-10-12-31-13-11-28)20(2)27-30(23)24(15-19)32-18-21-6-4-3-5-7-21/h14-17,21H,3-13,18H2,1-2H3.
What are the key properties of 4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 437.59 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 121379344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).