2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C23H19Cl2F3N6O3 — CID 130301962

IUPAC2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4n3)CC2)c2c1ccc(Cl)c2Cl)NCC(F)(F)F
InChIInChI=1S/C23H19Cl2F3N6O3/c24-12-1-4-16-18(19(12)25)22(21(37)34(16)10-17(35)29-11-23(26,27)28)5-7-33(8-6-22)20(36)14-3-2-13-15(31-14)9-30-32-13/h1-4,9H,5-8,10-11H2,(H,29,35)(H,30,32)
InChIKeyNOVLYVWXYDZALB-UHFFFAOYSA-N
MW555.34 g/mol
LogP3.46
Rot. Bonds4

About 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 130301962) has the molecular formula C23H19Cl2F3N6O3 and a molecular weight of 555.34 g/mol. Its IUPAC name is 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID130301962
Molecular FormulaC23H19Cl2F3N6O3
Molecular Weight555.34 g/mol
Exact Mass554.08
IUPAC Name2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4n3)CC2)c2c1ccc(Cl)c2Cl)NCC(F)(F)F
InChIInChI=1S/C23H19Cl2F3N6O3/c24-12-1-4-16-18(19(12)25)22(21(37)34(16)10-17(35)29-11-23(26,27)28)5-7-33(8-6-22)20(36)14-3-2-13-15(31-14)9-30-32-13/h1-4,9H,5-8,10-11H2,(H,29,35)(H,30,32)
InChIKeyNOVLYVWXYDZALB-UHFFFAOYSA-N
XLogP3.46
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

US10618897, Example 131
CID 130301861
US10618897, Example 21
CID 130301898
US10618897, Example 99
CID 130301907
US10618897, Example 31
CID 130301913
US10618897, Example 94
CID 130301917
US10618897, Example 37
CID 130301938
US10618897, Example 33
CID 130301939
US10618897, Example 35
CID 130301966
US10618897, Example 134
CID 130301984
US10618897, Example 32
CID 130301987
US10618897, Example 100
CID 130302001
US10618897, Example 129
CID 130302008

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 130301962) is 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4n3)CC2)c2c1ccc(Cl)c2Cl)NCC(F)(F)F.
What is the InChIKey of 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NOVLYVWXYDZALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N6O3/c24-12-1-4-16-18(19(12)25)22(21(37)34(16)10-17(35)29-11-23(26,27)28)5-7-33(8-6-22)20(36)14-3-2-13-15(31-14)9-30-32-13/h1-4,9H,5-8,10-11H2,(H,29,35)(H,30,32).
What are the key properties of 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 555.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dichloro-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 130301962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).