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

C27H28F3N5O3 — CID 130301959

IUPAC2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESCc1cccc2c1C1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C(=O)N2CC(=O)N(C)[C@@H](C)C(F)(F)F
InChIInChI=1S/C27H28F3N5O3/c1-16-5-4-6-21-23(16)26(25(38)35(21)15-22(36)33(3)17(2)27(28,29)30)9-11-34(12-10-26)24(37)18-7-8-20-19(13-18)14-31-32-20/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,31,32)/t17-/m0/s1
InChIKeyWCMYRRFXCLVXAE-KRWDZBQOSA-N
MW527.55 g/mol
LogP3.80
Rot. Bonds4

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

2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 130301959) has the molecular formula C27H28F3N5O3 and a molecular weight of 527.55 g/mol. Its IUPAC name is 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID130301959
Molecular FormulaC27H28F3N5O3
Molecular Weight527.55 g/mol
Exact Mass527.21
IUPAC Name2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESCc1cccc2c1C1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C(=O)N2CC(=O)N(C)[C@@H](C)C(F)(F)F
InChIInChI=1S/C27H28F3N5O3/c1-16-5-4-6-21-23(16)26(25(38)35(21)15-22(36)33(3)17(2)27(28,29)30)9-11-34(12-10-26)24(37)18-7-8-20-19(13-18)14-31-32-20/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,31,32)/t17-/m0/s1
InChIKeyWCMYRRFXCLVXAE-KRWDZBQOSA-N
XLogP3.80
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 130301959) is 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is Cc1cccc2c1C1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C(=O)N2CC(=O)N(C)[C@@H](C)C(F)(F)F.
What is the InChIKey of 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is WCMYRRFXCLVXAE-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H28F3N5O3/c1-16-5-4-6-21-23(16)26(25(38)35(21)15-22(36)33(3)17(2)27(28,29)30)9-11-34(12-10-26)24(37)18-7-8-20-19(13-18)14-31-32-20/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,31,32)/t17-/m0/s1.
What are the key properties of 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 527.55 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 130301959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).