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

C33H32F3N5O4 — CID 58630208

IUPAC2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide
SMILESCC[C@H](NC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2)c1ccccc1
InChIInChI=1S/C33H32F3N5O4/c1-5-26(20-9-7-6-8-10-20)37-30(42)25-19-23(45-4)15-16-27(25)41-28-24(29(38-41)33(34,35)36)17-18-40(32(28)44)22-13-11-21(12-14-22)31(43)39(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,37,42)/t26-/m0/s1
InChIKeyKDWGLWKDUHPBLN-SANMLTNESA-N
MW619.64 g/mol
LogP5.69
Rot. Bonds8

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

2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide (PubChem CID 58630208) has the molecular formula C33H32F3N5O4 and a molecular weight of 619.64 g/mol. Its IUPAC name is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide
PubChem CID58630208
Molecular FormulaC33H32F3N5O4
Molecular Weight619.64 g/mol
Exact Mass619.24
IUPAC Name2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide
SMILESCC[C@H](NC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2)c1ccccc1
InChIInChI=1S/C33H32F3N5O4/c1-5-26(20-9-7-6-8-10-20)37-30(42)25-19-23(45-4)15-16-27(25)41-28-24(29(38-41)33(34,35)36)17-18-40(32(28)44)22-13-11-21(12-14-22)31(43)39(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,37,42)/t26-/m0/s1
InChIKeyKDWGLWKDUHPBLN-SANMLTNESA-N
XLogP5.69
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.64
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide?
The IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide (CID 58630208) is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide?
The canonical SMILES for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide is CC[C@H](NC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2)c1ccccc1.
What is the InChIKey of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide?
The InChIKey is KDWGLWKDUHPBLN-SANMLTNESA-N. The full InChI is InChI=1S/C33H32F3N5O4/c1-5-26(20-9-7-6-8-10-20)37-30(42)25-19-23(45-4)15-16-27(25)41-28-24(29(38-41)33(34,35)36)17-18-40(32(28)44)22-13-11-21(12-14-22)31(43)39(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,37,42)/t26-/m0/s1.
What are the key properties of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide?
2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide has a molecular weight of 619.64 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1S)-1-phenylpropyl]benzamide is sourced from PubChem (CID 58630208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).