2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

C20H21FN4O3 — CID 66828936

IUPAC2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1F
InChIInChI=1S/C20H21FN4O3/c1-25(2)20(26)14-4-3-12(11-15(14)21)18-17-16(23-24-18)5-8-22-19(17)28-13-6-9-27-10-7-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,23,24)
InChIKeyJGIUZFYRGUHFGX-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.02
Rot. Bonds4

About 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (PubChem CID 66828936) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
PubChem CID66828936
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1F
InChIInChI=1S/C20H21FN4O3/c1-25(2)20(26)14-4-3-12(11-15(14)21)18-17-16(23-24-18)5-8-22-19(17)28-13-6-9-27-10-7-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,23,24)
InChIKeyJGIUZFYRGUHFGX-UHFFFAOYSA-N
XLogP3.02
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide with MolForge

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Related Compounds

H3B-6545
CID 124091099
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4-(5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl)-2-(propan-2-yloxy)benzamide
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CID 9910658
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone
CID 25126520
6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431454
6-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (CID 66828936) is 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is CN(C)C(=O)c1ccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1F.
What is the InChIKey of 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The InChIKey is JGIUZFYRGUHFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-25(2)20(26)14-4-3-12(11-15(14)21)18-17-16(23-24-18)5-8-22-19(17)28-13-6-9-27-10-7-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide has a molecular weight of 384.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 66828936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).