(1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one

C19H30N4O3 — CID 133115464

IUPAC(1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCOCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCn1nc(C)c(C)c1C)C2
InChIInChI=1S/C19H30N4O3/c1-13-14(2)20-23(15(13)3)8-7-18(24)21-11-16-5-6-17(12-21)22(19(16)25)9-10-26-4/h16-17H,5-12H2,1-4H3/t16-,17+/m1/s1
InChIKeyZNMSBYSMJWYOJE-SJORKVTESA-N
MW362.47 g/mol
LogP1.29
Rot. Bonds6

About (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one

(1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one (PubChem CID 133115464) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one.

Molecular Properties

Compound Name(1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
PubChem CID133115464
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCOCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCn1nc(C)c(C)c1C)C2
InChIInChI=1S/C19H30N4O3/c1-13-14(2)20-23(15(13)3)8-7-18(24)21-11-16-5-6-17(12-21)22(19(16)25)9-10-26-4/h16-17H,5-12H2,1-4H3/t16-,17+/m1/s1
InChIKeyZNMSBYSMJWYOJE-SJORKVTESA-N
XLogP1.29
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one with MolForge

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Launch Full Analysis

Related Compounds

1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24793140
1-cycloheptyl-N-isopropyl-6-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24793825
(1R*,5R*)-6-(2-methoxyethyl)-3-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133115034
(1S*,3R*)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 56897650
1-(4-Acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 34840010
1-(4-Acetyl-1,4-diazepan-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 53508808
1-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 70733926
2-Methyl-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71850686
1-(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71927852
1-(2-methoxyacetyl)-N-methyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 97894510
4-(2-Cyclohexylethyl)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,4-diazepan-5-one
CID 132411753
(1R*,5R*)-6-(cyclopropylmethyl)-3-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133113310

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The IUPAC name of (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one (CID 133115464) is (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one.
What is the SMILES notation for (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The canonical SMILES for (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one is COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCn1nc(C)c(C)c1C)C2.
What is the InChIKey of (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The InChIKey is ZNMSBYSMJWYOJE-SJORKVTESA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13-14(2)20-23(15(13)3)8-7-18(24)21-11-16-5-6-17(12-21)22(19(16)25)9-10-26-4/h16-17H,5-12H2,1-4H3/t16-,17+/m1/s1.
What are the key properties of (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
(1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one has a molecular weight of 362.47 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one is sourced from PubChem (CID 133115464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).