1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide

C26H25ClFN5O4 — CID 140772907

About 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide

1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide (PubChem CID 140772907) has the molecular formula C26H25ClFN5O4 and a molecular weight of 525.97 g/mol. Its IUPAC name is 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide.

Molecular Properties

• Compound Name: 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide
• PubChem CID: 140772907
• Molecular Formula: C26H25ClFN5O4
• Molecular Weight: 525.97 g/mol
• Exact Mass: 525.16
• IUPAC Name: 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide
• SMILES: NC(=O)c1ccc2cnn([C@@H](CC3CC3)C(=O)N3CCC[C@@]4(C3)OC(=O)Nc3ccc(Cl)c(F)c34)c2c1
• InChI: InChI=1S/C26H25ClFN5O4/c27-17-6-7-18-21(22(17)28)26(37-25(36)31-18)8-1-9-32(13-26)24(35)20(10-14-2-3-14)33-19-11-15(23(29)34)4-5-16(19)12-30-33/h4-7,11-12,14,20H,1-3,8-10,13H2,(H2,29,34)(H,31,36)/t20-,26-/m0/s1
• InChIKey: UVHDZTUCQKOMNC-FNZWTVRRSA-N
• XLogP: 4.35
• TPSA: 119.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.97
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide?

The IUPAC name of 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide (CID 140772907) is 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide.

What is the SMILES notation for 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide?

The canonical SMILES for 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide is NC(=O)c1ccc2cnn([C@@H](CC3CC3)C(=O)N3CCC[C@@]4(C3)OC(=O)Nc3ccc(Cl)c(F)c34)c2c1.

What is the InChIKey of 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide?

The InChIKey is UVHDZTUCQKOMNC-FNZWTVRRSA-N. The full InChI is InChI=1S/C26H25ClFN5O4/c27-17-6-7-18-21(22(17)28)26(37-25(36)31-18)8-1-9-32(13-26)24(35)20(10-14-2-3-14)33-19-11-15(23(29)34)4-5-16(19)12-30-33/h4-7,11-12,14,20H,1-3,8-10,13H2,(H2,29,34)(H,31,36)/t20-,26-/m0/s1.

What are the key properties of 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide?

1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide has a molecular weight of 525.97 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-[(4R)-6-chloro-5-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-3-cyclopropyl-1-oxopropan-2-yl]indazole-6-carboxamide is sourced from PubChem (CID 140772907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).