5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide

C20H16F3N5O3 — CID 58630054

IUPAC5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2cccnc2)CC3)c(C(N)=O)c1
InChIInChI=1S/C20H16F3N5O3/c1-31-12-4-5-15(14(9-12)18(24)29)28-16-13(17(26-28)20(21,22)23)6-8-27(19(16)30)11-3-2-7-25-10-11/h2-5,7,9-10H,6,8H2,1H3,(H2,24,29)
InChIKeyJFVXHLQMGUERML-UHFFFAOYSA-N
MW431.37 g/mol
LogP2.60
Rot. Bonds4

About 5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide

5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide (PubChem CID 58630054) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is 5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
PubChem CID58630054
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC Name5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2cccnc2)CC3)c(C(N)=O)c1
InChIInChI=1S/C20H16F3N5O3/c1-31-12-4-5-15(14(9-12)18(24)29)28-16-13(17(26-28)20(21,22)23)6-8-27(19(16)30)11-3-2-7-25-10-11/h2-5,7,9-10H,6,8H2,1H3,(H2,24,29)
InChIKeyJFVXHLQMGUERML-UHFFFAOYSA-N
XLogP2.60
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
The IUPAC name of 5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide (CID 58630054) is 5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
The canonical SMILES for 5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2cccnc2)CC3)c(C(N)=O)c1.
What is the InChIKey of 5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
The InChIKey is JFVXHLQMGUERML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c1-31-12-4-5-15(14(9-12)18(24)29)28-16-13(17(26-28)20(21,22)23)6-8-27(19(16)30)11-3-2-7-25-10-11/h2-5,7,9-10H,6,8H2,1H3,(H2,24,29).
What are the key properties of 5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide has a molecular weight of 431.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[7-oxo-6-pyridin-3-yl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 58630054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).