5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide

C23H20ClN7O6 — CID 58457064

IUPAC5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide
SMILESC[C@@H]1CN2c3c(nc4c(-c5ccc(C(N)=O)nc5)noc4c3Cl)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C23H20ClN7O6/c1-8-7-31-16-12(5-23(18(31)9(2)36-8)20(33)28-22(35)29-21(23)34)27-15-14(30-37-17(15)13(16)24)10-3-4-11(19(25)32)26-6-10/h3-4,6,8-9,18H,5,7H2,1-2H3,(H2,25,32)(H2,28,29,33,34,35)/t8-,9+,18-/m1/s1
InChIKeyKXTQYLOGBZDZFI-SNFQMMDSSA-N
MW525.91 g/mol
LogP0.93
Rot. Bonds2

About 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide

5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide (PubChem CID 58457064) has the molecular formula C23H20ClN7O6 and a molecular weight of 525.91 g/mol. Its IUPAC name is 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide
PubChem CID58457064
Molecular FormulaC23H20ClN7O6
Molecular Weight525.91 g/mol
Exact Mass525.12
IUPAC Name5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide
SMILESC[C@@H]1CN2c3c(nc4c(-c5ccc(C(N)=O)nc5)noc4c3Cl)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C23H20ClN7O6/c1-8-7-31-16-12(5-23(18(31)9(2)36-8)20(33)28-22(35)29-21(23)34)27-15-14(30-37-17(15)13(16)24)10-3-4-11(19(25)32)26-6-10/h3-4,6,8-9,18H,5,7H2,1-2H3,(H2,25,32)(H2,28,29,33,34,35)/t8-,9+,18-/m1/s1
InChIKeyKXTQYLOGBZDZFI-SNFQMMDSSA-N
XLogP0.93
TPSA182.64 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.91
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

17'-chloro-4',6'-dimethyl-13'-pyridin-3-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-2,4,6-trione
CID 76791412
(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-13'-(1,3-thiazol-5-yl)spiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-2,4,6-trione
CID 58457149
(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-13'-(6-methyl-3-pyridinyl)spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
CID 67433378
(4R,6S,7S)-17-chloro-4,6-dimethyl-13-pyrazin-2-ylspiro[5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene-8,3'-piperidine]-2',4',6'-trione
CID 160835125
(4R,6S,7S)-N-benzyl-17-chloro-4,6-dimethyl-2',4',6'-trioxospiro[5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene-8,3'-piperidine]-13-carboxamide
CID 58457067
5-[(4'S)-10'-chloro-9'-hydroxy-4'-methyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-8'-carboximidoyl]pyridine-2-carboxamide
CID 143975136
(4R,6S,7S)-17-chloro-N-[(4-cyanophenyl)methyl]-4,6-dimethyl-2',4',6'-trioxospiro[5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene-8,3'-piperidine]-13-carboxamide
CID 58457004
(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-13'-(5-methyl-1,3-thiazol-2-yl)spiro[2,6-dihydro-1H-pyrimidine-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]
CID 151072831
(4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
CID 67434000
(6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyrimidin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
CID 67320127
(4'R,6'S,7'S)-13'-(2-amino-4-pyridinyl)-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
CID 118672294
(6'aS,7'S,9'R)-7',9'-dimethyl-3'-pyridin-2-ylspiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
CID 67320763

Frequently Asked Questions

What is the IUPAC name of 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide (CID 58457064) is 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide is C[C@@H]1CN2c3c(nc4c(-c5ccc(C(N)=O)nc5)noc4c3Cl)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.
What is the InChIKey of 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide?
The InChIKey is KXTQYLOGBZDZFI-SNFQMMDSSA-N. The full InChI is InChI=1S/C23H20ClN7O6/c1-8-7-31-16-12(5-23(18(31)9(2)36-8)20(33)28-22(35)29-21(23)34)27-15-14(30-37-17(15)13(16)24)10-3-4-11(19(25)32)26-6-10/h3-4,6,8-9,18H,5,7H2,1-2H3,(H2,25,32)(H2,28,29,33,34,35)/t8-,9+,18-/m1/s1.
What are the key properties of 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide?
5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide has a molecular weight of 525.91 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4'R,6'S,7'S)-17'-chloro-4',6'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,11,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,13,16-tetraene]-13'-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58457064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).