N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide

C23H26N6O4 — CID 129094164

IUPACN-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
SMILESCc1cc(C[C@H](CO)NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)cc2cn[nH]c12
InChIInChI=1S/C23H26N6O4/c1-14-9-15(10-16-12-25-28-19(14)16)11-17(13-30)26-21(31)29-7-4-23(5-8-29)18-3-2-6-24-20(18)27-22(32)33-23/h2-3,6,9-10,12,17,30H,4-5,7-8,11,13H2,1H3,(H,25,28)(H,26,31)(H,24,27,32)/t17-/m1/s1
InChIKeyBFSHGLZYEFRRHQ-QGZVFWFLSA-N
MW450.50 g/mol
LogP2.43
Rot. Bonds4

About N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide

N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide (PubChem CID 129094164) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
PubChem CID129094164
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC NameN-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
SMILESCc1cc(C[C@H](CO)NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)cc2cn[nH]c12
InChIInChI=1S/C23H26N6O4/c1-14-9-15(10-16-12-25-28-19(14)16)11-17(13-30)26-21(31)29-7-4-23(5-8-29)18-3-2-6-24-20(18)27-22(32)33-23/h2-3,6,9-10,12,17,30H,4-5,7-8,11,13H2,1H3,(H,25,28)(H,26,31)(H,24,27,32)/t17-/m1/s1
InChIKeyBFSHGLZYEFRRHQ-QGZVFWFLSA-N
XLogP2.43
TPSA132.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide 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 N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide (CID 129094164) is N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide is Cc1cc(C[C@H](CO)NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)cc2cn[nH]c12.
What is the InChIKey of N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide?
The InChIKey is BFSHGLZYEFRRHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-14-9-15(10-16-12-25-28-19(14)16)11-17(13-30)26-21(31)29-7-4-23(5-8-29)18-3-2-6-24-20(18)27-22(32)33-23/h2-3,6,9-10,12,17,30H,4-5,7-8,11,13H2,1H3,(H,25,28)(H,26,31)(H,24,27,32)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide?
N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-(7-methyl-1H-indazol-5-yl)propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 129094164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).