(1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C18H21N5O2 — CID 131841846

IUPAC(1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(c1cnc2cccnn12)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2
InChIInChI=1S/C18H21N5O2/c24-17-5-1-3-14-13-7-12(10-22(14)17)9-21(11-13)18(25)15-8-19-16-4-2-6-20-23(15)16/h2,4,6,8,12-14H,1,3,5,7,9-11H2/t12-,13+,14-/m0/s1
InChIKeyWVASDHCGYXZULQ-MJBXVCDLSA-N
MW339.40 g/mol
LogP1.20
Rot. Bonds1

About (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 131841846) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID131841846
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(c1cnc2cccnn12)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2
InChIInChI=1S/C18H21N5O2/c24-17-5-1-3-14-13-7-12(10-22(14)17)9-21(11-13)18(25)15-8-19-16-4-2-6-20-23(15)16/h2,4,6,8,12-14H,1,3,5,7,9-11H2/t12-,13+,14-/m0/s1
InChIKeyWVASDHCGYXZULQ-MJBXVCDLSA-N
XLogP1.20
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-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,5R,11aS)-3-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CID 56878014
(4aS*,8aR*)-1-(2-aminoethyl)-6-(pyrazolo[1,5-a]pyrimidin-2-ylcarbonyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56919257
(4aR*,8aS*)-1-(cyclohexylmethyl)-6-(pyrazolo[1,5-a]pyrimidin-2-ylcarbonyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 25291789
(4aR*,8aS*)-1-(2-cyclohexylethyl)-6-(pyrazolo[1,5-a]pyrimidin-2-ylcarbonyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 42236469
N-methyl-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)-2-(6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)acetamide
CID 110208090
(1R,9aR)-1-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)carbonyl]octahydro-2H-quinolizine
CID 119068865
4-(Imidazo[1,2-b]pyridazine-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 121582677
(3R)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 124262293
(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 124262294
N,N-dimethyl-3-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126911891
(4aS,8aR)-1-(cyclohexylmethyl)-6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133125561
(4aS,8aR)-1-(2-cyclohexylethyl)-6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133134303

Frequently Asked Questions

What is the IUPAC name of (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 131841846) is (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is O=C(c1cnc2cccnn12)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2.
What is the InChIKey of (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is WVASDHCGYXZULQ-MJBXVCDLSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-5-1-3-14-13-7-12(10-22(14)17)9-21(11-13)18(25)15-8-19-16-4-2-6-20-23(15)16/h2,4,6,8,12-14H,1,3,5,7,9-11H2/t12-,13+,14-/m0/s1.
What are the key properties of (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 339.40 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 131841846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).