3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine

C23H27N5O2 — CID 11611143

IUPAC3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine
SMILESCCC(CC)Oc1cc(C)nc2c(-c3ccc(-n4cccn4)cc3OC)nn(C)c12
InChIInChI=1S/C23H27N5O2/c1-6-17(7-2)30-20-13-15(3)25-22-21(26-27(4)23(20)22)18-10-9-16(14-19(18)29-5)28-12-8-11-24-28/h8-14,17H,6-7H2,1-5H3
InChIKeyPNJBOODBPJZGNS-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.71
Rot. Bonds7

About 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine

3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine (PubChem CID 11611143) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine
PubChem CID11611143
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine
SMILESCCC(CC)Oc1cc(C)nc2c(-c3ccc(-n4cccn4)cc3OC)nn(C)c12
InChIInChI=1S/C23H27N5O2/c1-6-17(7-2)30-20-13-15(3)25-22-21(26-27(4)23(20)22)18-10-9-16(14-19(18)29-5)28-12-8-11-24-28/h8-14,17H,6-7H2,1-5H3
InChIKeyPNJBOODBPJZGNS-UHFFFAOYSA-N
XLogP4.71
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine (CID 11611143) is 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine is CCC(CC)Oc1cc(C)nc2c(-c3ccc(-n4cccn4)cc3OC)nn(C)c12.
What is the InChIKey of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine?
The InChIKey is PNJBOODBPJZGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-6-17(7-2)30-20-13-15(3)25-22-21(26-27(4)23(20)22)18-10-9-16(14-19(18)29-5)28-12-8-11-24-28/h8-14,17H,6-7H2,1-5H3.
What are the key properties of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine?
3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine has a molecular weight of 405.50 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine is sourced from PubChem (CID 11611143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).