2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide

C20H25N5O2 — CID 14796387

IUPAC2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(-c2ccc(OCCCN(C)C)cc2)c2cccnc21
InChIInChI=1S/C20H25N5O2/c1-21-18(26)14-25-20-17(6-4-11-22-20)19(23-25)15-7-9-16(10-8-15)27-13-5-12-24(2)3/h4,6-11H,5,12-14H2,1-3H3,(H,21,26)
InChIKeyMAMUBWWNHYDJIK-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.17
Rot. Bonds8

About 2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide

2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide (PubChem CID 14796387) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide
PubChem CID14796387
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(-c2ccc(OCCCN(C)C)cc2)c2cccnc21
InChIInChI=1S/C20H25N5O2/c1-21-18(26)14-25-20-17(6-4-11-22-20)19(23-25)15-7-9-16(10-8-15)27-13-5-12-24(2)3/h4,6-11H,5,12-14H2,1-3H3,(H,21,26)
InChIKeyMAMUBWWNHYDJIK-UHFFFAOYSA-N
XLogP2.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
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 2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide (CID 14796387) is 2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide is CNC(=O)Cn1nc(-c2ccc(OCCCN(C)C)cc2)c2cccnc21.
What is the InChIKey of 2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide?
The InChIKey is MAMUBWWNHYDJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-21-18(26)14-25-20-17(6-4-11-22-20)19(23-25)15-7-9-16(10-8-15)27-13-5-12-24(2)3/h4,6-11H,5,12-14H2,1-3H3,(H,21,26).
What are the key properties of 2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide?
2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[3-(dimethylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N-methylacetamide is sourced from PubChem (CID 14796387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).