3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

C23H18F3N5O3 — CID 71451319

IUPAC3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cc12
InChIInChI=1S/C23H18F3N5O3/c1-12-6-7-13(20(32)28-15-5-3-4-14(9-15)23(24,25)26)8-17(12)21(33)29-16-10-18-19(27-11-16)30-31-22(18)34-2/h3-11H,1-2H3,(H,28,32)(H,29,33)(H,27,30,31)
InChIKeySLZMPWIWAYZIID-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.80
Rot. Bonds5

About 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 71451319) has the molecular formula C23H18F3N5O3 and a molecular weight of 469.42 g/mol. Its IUPAC name is 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
PubChem CID71451319
Molecular FormulaC23H18F3N5O3
Molecular Weight469.42 g/mol
Exact Mass469.14
IUPAC Name3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cc12
InChIInChI=1S/C23H18F3N5O3/c1-12-6-7-13(20(32)28-15-5-3-4-14(9-15)23(24,25)26)8-17(12)21(33)29-16-10-18-19(27-11-16)30-31-22(18)34-2/h3-11H,1-2H3,(H,28,32)(H,29,33)(H,27,30,31)
InChIKeySLZMPWIWAYZIID-UHFFFAOYSA-N
XLogP4.80
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (CID 71451319) is 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is COc1n[nH]c2ncc(NC(=O)c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cc12.
What is the InChIKey of 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is SLZMPWIWAYZIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3/c1-12-6-7-13(20(32)28-15-5-3-4-14(9-15)23(24,25)26)8-17(12)21(33)29-16-10-18-19(27-11-16)30-31-22(18)34-2/h3-11H,1-2H3,(H,28,32)(H,29,33)(H,27,30,31).
What are the key properties of 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 469.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 71451319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).