2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine

C23H23FN4O — CID 14796377

IUPAC2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)Oc1cccc(-n2nc(-c3ccc(F)cc3)c3cccnc32)c1
InChIInChI=1S/C23H23FN4O/c1-16(15-27(2)3)29-20-7-4-6-19(14-20)28-23-21(8-5-13-25-23)22(26-28)17-9-11-18(24)12-10-17/h4-14,16H,15H2,1-3H3
InChIKeyMFSDDONCGMKGOJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.56
Rot. Bonds6

About 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine

2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 14796377) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID14796377
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)Oc1cccc(-n2nc(-c3ccc(F)cc3)c3cccnc32)c1
InChIInChI=1S/C23H23FN4O/c1-16(15-27(2)3)29-20-7-4-6-19(14-20)28-23-21(8-5-13-25-23)22(26-28)17-9-11-18(24)12-10-17/h4-14,16H,15H2,1-3H3
InChIKeyMFSDDONCGMKGOJ-UHFFFAOYSA-N
XLogP4.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine (CID 14796377) is 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine is CC(CN(C)C)Oc1cccc(-n2nc(-c3ccc(F)cc3)c3cccnc32)c1.
What is the InChIKey of 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is MFSDDONCGMKGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16(15-27(2)3)29-20-7-4-6-19(14-20)28-23-21(8-5-13-25-23)22(26-28)17-9-11-18(24)12-10-17/h4-14,16H,15H2,1-3H3.
What are the key properties of 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine?
2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 390.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 14796377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).