(1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione

C26H29N3O6 — CID 102043608

IUPAC(1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione
SMILESCC1(C)C=Cc2c(ccc3c2N[C@@]2(O[C@@H](O)[C@@]45NC(=O)[C@]6(CCCN6C4=O)C[C@H]5C2(C)C)C3=O)O1
InChIInChI=1S/C26H29N3O6/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-26(18(14)30)23(3,4)16-12-24-9-5-11-29(24)20(32)25(16,21(33)35-26)28-19(24)31/h6-8,10,16,21,27,33H,5,9,11-12H2,1-4H3,(H,28,31)/t16-,21+,24-,25-,26+/m0/s1
InChIKeyZPXKISNDQRGXBE-OJUKFVNASA-N
MW479.53 g/mol
LogP1.80
Rot. Bonds

About (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione

(1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione (PubChem CID 102043608) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione.

Molecular Properties

Compound Name(1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione
PubChem CID102043608
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name(1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione
SMILESCC1(C)C=Cc2c(ccc3c2N[C@@]2(O[C@@H](O)[C@@]45NC(=O)[C@]6(CCCN6C4=O)C[C@H]5C2(C)C)C3=O)O1
InChIInChI=1S/C26H29N3O6/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-26(18(14)30)23(3,4)16-12-24-9-5-11-29(24)20(32)25(16,21(33)35-26)28-19(24)31/h6-8,10,16,21,27,33H,5,9,11-12H2,1-4H3,(H,28,31)/t16-,21+,24-,25-,26+/m0/s1
InChIKeyZPXKISNDQRGXBE-OJUKFVNASA-N
XLogP1.80
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione?
The IUPAC name of (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione (CID 102043608) is (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione.
What is the SMILES notation for (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione?
The canonical SMILES for (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione is CC1(C)C=Cc2c(ccc3c2N[C@@]2(O[C@@H](O)[C@@]45NC(=O)[C@]6(CCCN6C4=O)C[C@H]5C2(C)C)C3=O)O1.
What is the InChIKey of (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione?
The InChIKey is ZPXKISNDQRGXBE-OJUKFVNASA-N. The full InChI is InChI=1S/C26H29N3O6/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-26(18(14)30)23(3,4)16-12-24-9-5-11-29(24)20(32)25(16,21(33)35-26)28-19(24)31/h6-8,10,16,21,27,33H,5,9,11-12H2,1-4H3,(H,28,31)/t16-,21+,24-,25-,26+/m0/s1.
What are the key properties of (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione?
(1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione has a molecular weight of 479.53 g/mol, XLogP of 1.80, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2S,3'S,7'R,8'R)-7'-hydroxy-4',4',7,7-tetramethylspiro[1H-pyrano[2,3-g]indole-2,5'-6-oxa-10,15-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-3,9',14'-trione is sourced from PubChem (CID 102043608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).