6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C24H20BrF3N6O2 — CID 171706358

IUPAC6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cn1)c1n[nH]c2c1CCN(C(=O)Cc1c[nH]c3ccc(Br)cc13)C2
InChIInChI=1S/C24H20BrF3N6O2/c25-15-2-4-19-18(8-15)13(9-30-19)7-21(35)34-6-5-17-20(12-34)32-33-22(17)23(36)31-11-16-3-1-14(10-29-16)24(26,27)28/h1-4,8-10,30H,5-7,11-12H2,(H,31,36)(H,32,33)
InChIKeyYEWNVRUIRXDOMB-UHFFFAOYSA-N
MW561.36 g/mol
LogP4.12
Rot. Bonds5

About 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171706358) has the molecular formula C24H20BrF3N6O2 and a molecular weight of 561.36 g/mol. Its IUPAC name is 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID171706358
Molecular FormulaC24H20BrF3N6O2
Molecular Weight561.36 g/mol
Exact Mass560.08
IUPAC Name6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cn1)c1n[nH]c2c1CCN(C(=O)Cc1c[nH]c3ccc(Br)cc13)C2
InChIInChI=1S/C24H20BrF3N6O2/c25-15-2-4-19-18(8-15)13(9-30-19)7-21(35)34-6-5-17-20(12-34)32-33-22(17)23(36)31-11-16-3-1-14(10-29-16)24(26,27)28/h1-4,8-10,30H,5-7,11-12H2,(H,31,36)(H,32,33)
InChIKeyYEWNVRUIRXDOMB-UHFFFAOYSA-N
XLogP4.12
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.36
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
Ddr1-IN-4
CID 130301864
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1H-pyrazole-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506360
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 135439858
5-bromo-2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72704299
2-tert-butyl-1'-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292553
N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444834
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444896
5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 162670206

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 171706358) is 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCc1ccc(C(F)(F)F)cn1)c1n[nH]c2c1CCN(C(=O)Cc1c[nH]c3ccc(Br)cc13)C2.
What is the InChIKey of 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is YEWNVRUIRXDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrF3N6O2/c25-15-2-4-19-18(8-15)13(9-30-19)7-21(35)34-6-5-17-20(12-34)32-33-22(17)23(36)31-11-16-3-1-14(10-29-16)24(26,27)28/h1-4,8-10,30H,5-7,11-12H2,(H,31,36)(H,32,33).
What are the key properties of 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 561.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171706358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).