3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine

C22H31N5O — CID 14796363

IUPAC3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2nn(CCCN(C)C)c3ncccc23)cc1
InChIInChI=1S/C22H31N5O/c1-25(2)14-6-16-27-22-20(8-5-13-23-22)21(24-27)18-9-11-19(12-10-18)28-17-7-15-26(3)4/h5,8-13H,6-7,14-17H2,1-4H3
InChIKeyDPKMCYQFBQTHAH-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.38
Rot. Bonds10

About 3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine

3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 14796363) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID14796363
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2nn(CCCN(C)C)c3ncccc23)cc1
InChIInChI=1S/C22H31N5O/c1-25(2)14-6-16-27-22-20(8-5-13-23-22)21(24-27)18-9-11-19(12-10-18)28-17-7-15-26(3)4/h5,8-13H,6-7,14-17H2,1-4H3
InChIKeyDPKMCYQFBQTHAH-UHFFFAOYSA-N
XLogP3.38
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine (CID 14796363) is 3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(-c2nn(CCCN(C)C)c3ncccc23)cc1.
What is the InChIKey of 3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is DPKMCYQFBQTHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-25(2)14-6-16-27-22-20(8-5-13-23-22)21(24-27)18-9-11-19(12-10-18)28-17-7-15-26(3)4/h5,8-13H,6-7,14-17H2,1-4H3.
What are the key properties of 3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine?
3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 381.52 g/mol, XLogP of 3.38, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 14796363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).