2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C24H20Cl2F3N5O3 — CID 130301938

IUPAC2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)c2c1ccc(Cl)c2Cl)NCC(F)(F)F
InChIInChI=1S/C24H20Cl2F3N5O3/c25-15-2-4-17-19(20(15)26)23(22(37)34(17)11-18(35)30-12-24(27,28)29)5-7-33(8-6-23)21(36)13-1-3-16-14(9-13)10-31-32-16/h1-4,9-10H,5-8,11-12H2,(H,30,35)(H,31,32)
InChIKeyKEZZYCBKCPBQKK-UHFFFAOYSA-N
MW554.36 g/mol
LogP4.07
Rot. Bonds4

About 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 130301938) has the molecular formula C24H20Cl2F3N5O3 and a molecular weight of 554.36 g/mol. Its IUPAC name is 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID130301938
Molecular FormulaC24H20Cl2F3N5O3
Molecular Weight554.36 g/mol
Exact Mass553.09
IUPAC Name2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)c2c1ccc(Cl)c2Cl)NCC(F)(F)F
InChIInChI=1S/C24H20Cl2F3N5O3/c25-15-2-4-17-19(20(15)26)23(22(37)34(17)11-18(35)30-12-24(27,28)29)5-7-33(8-6-23)21(36)13-1-3-16-14(9-13)10-31-32-16/h1-4,9-10H,5-8,11-12H2,(H,30,35)(H,31,32)
InChIKeyKEZZYCBKCPBQKK-UHFFFAOYSA-N
XLogP4.07
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
CID 130301863
N-(3,4-dichlorophenyl)-1H-indazole-5-carboxamide
CID 77844601
N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide
CID 56658556
US9796741, cmp No. 1
CID 91844719
5-((1H-pyrazol-4-yl)ethynyl)-1-(2-((2S,4R)-2-(3-chloro-2-fluorobenzylcarbamoyl)-4-fluoropyrrolidin-1-yl)-2-oxoethyl)-1H-indazole-3-carboxamide
CID 118322962
US9796741, cmp No. 45
CID 118323681
US9796741, cmp No. 62
CID 118323700
US10618897, Example 41
CID 130301862
US10618897, Example 60
CID 130301873
US10618897, Example 164
CID 130301883
US10618897, Example 142
CID 130301905
US10618897, Example 31
CID 130301913

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 130301938) is 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)c2c1ccc(Cl)c2Cl)NCC(F)(F)F.
What is the InChIKey of 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KEZZYCBKCPBQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F3N5O3/c25-15-2-4-17-19(20(15)26)23(22(37)34(17)11-18(35)30-12-24(27,28)29)5-7-33(8-6-23)21(36)13-1-3-16-14(9-13)10-31-32-16/h1-4,9-10H,5-8,11-12H2,(H,30,35)(H,31,32).
What are the key properties of 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 554.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dichloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 130301938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).