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

C23H19ClF3N5O3 — CID 130301883

IUPAC2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)C2)c2c(Cl)cccc21)NCC(F)(F)F
InChIInChI=1S/C23H19ClF3N5O3/c24-15-2-1-3-17-19(15)22(21(35)32(17)10-18(33)28-11-23(25,26)27)6-7-31(12-22)20(34)13-4-5-16-14(8-13)9-29-30-16/h1-5,8-9H,6-7,10-12H2,(H,28,33)(H,29,30)
InChIKeyRVGSZKVJYKJZPM-UHFFFAOYSA-N
MW505.88 g/mol
LogP3.03
Rot. Bonds4

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

2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 130301883) has the molecular formula C23H19ClF3N5O3 and a molecular weight of 505.88 g/mol. Its IUPAC name is 2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID130301883
Molecular FormulaC23H19ClF3N5O3
Molecular Weight505.88 g/mol
Exact Mass505.11
IUPAC Name2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)C2)c2c(Cl)cccc21)NCC(F)(F)F
InChIInChI=1S/C23H19ClF3N5O3/c24-15-2-1-3-17-19(15)22(21(35)32(17)10-18(33)28-11-23(25,26)27)6-7-31(12-22)20(34)13-4-5-16-14(8-13)9-29-30-16/h1-5,8-9H,6-7,10-12H2,(H,28,33)(H,29,30)
InChIKeyRVGSZKVJYKJZPM-UHFFFAOYSA-N
XLogP3.03
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.88
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844663
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
4-[4-[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-[(4-chloro-1H-indazol-6-yl)amino]-3-oxopropyl]phenyl]-3-methyl-N-propan-2-ylbenzamide
CID 117985339
(2R)-1-[1-(3-chlorophenyl)cyclopentanecarbonyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
CID 168299719
2-tert-butyl-1'-(3-chloro-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292554
(3,3-difluoropyrrolidin-1-yl)-[3-[(1-methylindazol-5-yl)methyl]-2H-indazol-5-yl]methanone
CID 127031446
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone
CID 134141248
6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide
CID 162645791
6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide
CID 162650305
6-[2-chloro-4-(2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide
CID 162660494
N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779431
US9796741, cmp No. 1
CID 91844719

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 130301883) is 2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)C2)c2c(Cl)cccc21)NCC(F)(F)F.
What is the InChIKey of 2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RVGSZKVJYKJZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O3/c24-15-2-1-3-17-19(15)22(21(35)32(17)10-18(33)28-11-23(25,26)27)6-7-31(12-22)20(34)13-4-5-16-14(8-13)9-29-30-16/h1-5,8-9H,6-7,10-12H2,(H,28,33)(H,29,30).
What are the key properties of 2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 505.88 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 130301883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).