(1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C20H30N4O2 — CID 110195029

IUPAC(1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C20H30N4O2/c1-13-17(14(2)22(3)21-13)7-8-19(25)23-10-15-9-16(12-23)18-5-4-6-20(26)24(18)11-15/h15-16,18H,4-12H2,1-3H3/t15-,16-,18-/m1/s1
InChIKeyDASDESPGBRXKIF-JFIYKMOQSA-N
MW358.49 g/mol
LogP1.83
Rot. Bonds3

About (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 110195029) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID110195029
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name(1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C20H30N4O2/c1-13-17(14(2)22(3)21-13)7-8-19(25)23-10-15-9-16(12-23)18-5-4-6-20(26)24(18)11-15/h15-16,18H,4-12H2,1-3H3/t15-,16-,18-/m1/s1
InChIKeyDASDESPGBRXKIF-JFIYKMOQSA-N
XLogP1.83
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one 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

(1R,2R,9R)-11-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195007
(1S,2R,9R)-11-(4-pyrrol-1-ylbutanoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 125430728
N-methyl-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 134804206
1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172670915
3-cyclopentyl-1-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021038
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032850
(2R)-11-(cyclobutanecarbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804361
1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 96500760
(1S,2R,9R)-11-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 125429035
(2R)-11-(4-acetylpiperazine-1-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804351
1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 24669751

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 110195029) is (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2.
What is the InChIKey of (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is DASDESPGBRXKIF-JFIYKMOQSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13-17(14(2)22(3)21-13)7-8-19(25)23-10-15-9-16(12-23)18-5-4-6-20(26)24(18)11-15/h15-16,18H,4-12H2,1-3H3/t15-,16-,18-/m1/s1.
What are the key properties of (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 358.49 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9R)-11-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 110195029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).