6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

C23H25N5O3 — CID 86722877

IUPAC6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOc1cc(OC)cc(-c2cc3c(cn2)c(-c2cnn(C)c2)nn3C2CCCCO2)c1
InChIInChI=1S/C23H25N5O3/c1-27-14-16(12-25-27)23-19-13-24-20(15-8-17(29-2)10-18(9-15)30-3)11-21(19)28(26-23)22-6-4-5-7-31-22/h8-14,22H,4-7H2,1-3H3
InChIKeyFMRPAXBZLXJFKQ-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.22
Rot. Bonds5

About 6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (PubChem CID 86722877) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
PubChem CID86722877
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOc1cc(OC)cc(-c2cc3c(cn2)c(-c2cnn(C)c2)nn3C2CCCCO2)c1
InChIInChI=1S/C23H25N5O3/c1-27-14-16(12-25-27)23-19-13-24-20(15-8-17(29-2)10-18(9-15)30-3)11-21(19)28(26-23)22-6-4-5-7-31-22/h8-14,22H,4-7H2,1-3H3
InChIKeyFMRPAXBZLXJFKQ-UHFFFAOYSA-N
XLogP4.22
TPSA76.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (CID 86722877) is 6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is COc1cc(OC)cc(-c2cc3c(cn2)c(-c2cnn(C)c2)nn3C2CCCCO2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is FMRPAXBZLXJFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-27-14-16(12-25-27)23-19-13-24-20(15-8-17(29-2)10-18(9-15)30-3)11-21(19)28(26-23)22-6-4-5-7-31-22/h8-14,22H,4-7H2,1-3H3.
What are the key properties of 6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 419.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 86722877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).