(1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C23H35N3O2 — CID 164692459

IUPAC(1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCOc1ccc(C)nc1N1C[C@H]2C[C@@H](C1)[C@H](CCC(C)C)N1C(=O)CCC[C@@H]21
InChIInChI=1S/C23H35N3O2/c1-15(2)8-10-20-18-12-17(19-6-5-7-22(27)26(19)20)13-25(14-18)23-21(28-4)11-9-16(3)24-23/h9,11,15,17-20H,5-8,10,12-14H2,1-4H3/t17-,18+,19+,20+/m1/s1
InChIKeyQOLHOSKWGVREDN-FYQPLNBISA-N
MW385.55 g/mol
LogP4.04
Rot. Bonds5

About (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 164692459) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID164692459
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name(1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCOc1ccc(C)nc1N1C[C@H]2C[C@@H](C1)[C@H](CCC(C)C)N1C(=O)CCC[C@@H]21
InChIInChI=1S/C23H35N3O2/c1-15(2)8-10-20-18-12-17(19-6-5-7-22(27)26(19)20)13-25(14-18)23-21(28-4)11-9-16(3)24-23/h9,11,15,17-20H,5-8,10,12-14H2,1-4H3/t17-,18+,19+,20+/m1/s1
InChIKeyQOLHOSKWGVREDN-FYQPLNBISA-N
XLogP4.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-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

6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one
CID 21069330
1-(6-Propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone
CID 166918590
2-{[1-(3-Methoxy-6-methyl-2-pyridinyl)-4-piperidinyl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 146038984
3-[1-(3-Methoxy-6-methyl-2-pyridinyl)-3-piperidinyl]propanamide
CID 146043043
(1R,2S,8S,9S)-11-(8-methoxy-4-methyl-2-quinolinyl)-8-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
CID 163304661
(1R,2S,8S,9S)-8-(3-methoxybenzyl)-11-(3-methyl-2-pyridinyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
CID 164689539
(1R,2S,8S,9S)-11-(4,6-dimethyl-2-pyridinyl)-8-(3-methoxybenzyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
CID 164690253
(1R,2S,8S,9S)-8-(cyclohexylmethyl)-11-[(3-methoxy-2-pyridinyl)methyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
CID 164690580
(1R,2S,8S,9S)-8-(3-methoxybenzyl)-11-(6-methyl-2-pyridinyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
CID 164695613
(1R,2S,8S,9S)-8-(3-methoxybenzyl)-11-(5-methyl-2-pyridinyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
CID 164697452
6-[(1R,2S,8S,9S)-8-(3-methoxybenzyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-2-pyridinecarbonitrile
CID 164698676
(1R,2S,8S,9S)-8-(3-methoxybenzyl)-11-(2-pyridinyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
CID 164698854

Frequently Asked Questions

What is the IUPAC name of (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 164692459) is (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is COc1ccc(C)nc1N1C[C@H]2C[C@@H](C1)[C@H](CCC(C)C)N1C(=O)CCC[C@@H]21.
What is the InChIKey of (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is QOLHOSKWGVREDN-FYQPLNBISA-N. The full InChI is InChI=1S/C23H35N3O2/c1-15(2)8-10-20-18-12-17(19-6-5-7-22(27)26(19)20)13-25(14-18)23-21(28-4)11-9-16(3)24-23/h9,11,15,17-20H,5-8,10,12-14H2,1-4H3/t17-,18+,19+,20+/m1/s1.
What are the key properties of (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 385.55 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8S,9S)-11-(3-methoxy-6-methyl-2-pyridinyl)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 164692459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).