(11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

C29H38N8O4 — CID 157019873

IUPAC(11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
SMILESCC(C)C[C@H]1NC(=O)CN(C(=O)c2nnc3n2CCCC3)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C29H38N8O4/c1-20(2)17-23-28(39)31-11-15-35-14-10-30-26(35)21-7-5-8-22(18-21)41-16-6-12-36(19-25(38)32-23)29(40)27-34-33-24-9-3-4-13-37(24)27/h5,7-8,10,14,18,20,23H,3-4,6,9,11-13,15-17,19H2,1-2H3,(H,31,39)(H,32,38)/t23-/m1/s1
InChIKeyMNONADNYFNRPII-HSZRJFAPSA-N
MW562.68 g/mol
LogP2.05
Rot. Bonds3

About (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione

(11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione (PubChem CID 157019873) has the molecular formula C29H38N8O4 and a molecular weight of 562.68 g/mol. Its IUPAC name is (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione.

Molecular Properties

Compound Name(11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
PubChem CID157019873
Molecular FormulaC29H38N8O4
Molecular Weight562.68 g/mol
Exact Mass562.30
IUPAC Name(11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
SMILESCC(C)C[C@H]1NC(=O)CN(C(=O)c2nnc3n2CCCC3)CCCOc2cccc(c2)-c2nccn2CCNC1=O
InChIInChI=1S/C29H38N8O4/c1-20(2)17-23-28(39)31-11-15-35-14-10-30-26(35)21-7-5-8-22(18-21)41-16-6-12-36(19-25(38)32-23)29(40)27-34-33-24-9-3-4-13-37(24)27/h5,7-8,10,14,18,20,23H,3-4,6,9,11-13,15-17,19H2,1-2H3,(H,31,39)(H,32,38)/t23-/m1/s1
InChIKeyMNONADNYFNRPII-HSZRJFAPSA-N
XLogP2.05
TPSA136.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.68
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione with MolForge

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Related Compounds

(11R)-11-(2-methylpropyl)-15-(2,4,5-trimethoxybenzoyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 157011328
(11R)-11-(2-methylpropyl)-15-(1-phenyltriazole-4-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 157017397
(11R)-11-(2-methylpropyl)-15-[(2R)-oxolane-2-carbonyl]-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 157013505
(11R)-11-(2-methylpropyl)-15-[4-(1,3-oxazol-5-yl)benzoyl]-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 157012666
(11R)-15-[3-(3-chlorophenyl)propanoyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 156585787
(11R)-15-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 157019533
(11R)-15-(1,5-dimethylpyrazol-4-yl)sulfonyl-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 156584835
(11R)-15-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-11-(2-methylpropyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 156584247
2-[14-[2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-9-yl]acetic acid
CID 162637156
5-[(11S)-11-benzyl-21-methoxy-10,13-dioxo-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-15-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 157015046
(11S)-11-benzyl-21-methoxy-15-(2-phenylmethoxyacetyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 157020196
(14R,17S)-14-benzyl-22,23-dimethoxy-17-methyl-9-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carbonyl)-2-oxa-6,9,12,15,18-pentazabicyclo[18.2.2]tetracosa-1(22),20,23-triene-7,13,16,19-tetrone
CID 154564237

Frequently Asked Questions

What is the IUPAC name of (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The IUPAC name of (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione (CID 157019873) is (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione.
What is the SMILES notation for (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The canonical SMILES for (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione is CC(C)C[C@H]1NC(=O)CN(C(=O)c2nnc3n2CCCC3)CCCOc2cccc(c2)-c2nccn2CCNC1=O.
What is the InChIKey of (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
The InChIKey is MNONADNYFNRPII-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H38N8O4/c1-20(2)17-23-28(39)31-11-15-35-14-10-30-26(35)21-7-5-8-22(18-21)41-16-6-12-36(19-25(38)32-23)29(40)27-34-33-24-9-3-4-13-37(24)27/h5,7-8,10,14,18,20,23H,3-4,6,9,11-13,15-17,19H2,1-2H3,(H,31,39)(H,32,38)/t23-/m1/s1.
What are the key properties of (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione?
(11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione has a molecular weight of 562.68 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-(2-methylpropyl)-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-19-oxa-3,6,9,12,15-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione is sourced from PubChem (CID 157019873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).