propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate

C21H26N6O3 — CID 71721711

IUPACpropan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate
SMILESCOc1ncccc1-c1cnc2ccc(N3CC[C@H](N(C)C(=O)OC(C)C)C3)nn12
InChIInChI=1S/C21H26N6O3/c1-14(2)30-21(28)25(3)15-9-11-26(13-15)19-8-7-18-23-12-17(27(18)24-19)16-6-5-10-22-20(16)29-4/h5-8,10,12,14-15H,9,11,13H2,1-4H3/t15-/m0/s1
InChIKeyFOKSAIBZRRENOA-HNNXBMFYSA-N
MW410.48 g/mol
LogP2.86
Rot. Bonds5

About propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate

propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate (PubChem CID 71721711) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate
PubChem CID71721711
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Namepropan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate
SMILESCOc1ncccc1-c1cnc2ccc(N3CC[C@H](N(C)C(=O)OC(C)C)C3)nn12
InChIInChI=1S/C21H26N6O3/c1-14(2)30-21(28)25(3)15-9-11-26(13-15)19-8-7-18-23-12-17(27(18)24-19)16-6-5-10-22-20(16)29-4/h5-8,10,12,14-15H,9,11,13H2,1-4H3/t15-/m0/s1
InChIKeyFOKSAIBZRRENOA-HNNXBMFYSA-N
XLogP2.86
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
CID 86696477
propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride
CID 86696442
3-(2-methoxy-3-pyridinyl)-N-[(3R)-piperidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
CID 67959033
2-methoxy-N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyridine-3-carboxamide
CID 125014728
2-methoxy-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyridine-3-carboxamide
CID 125014729
propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323173
propan-2-yl 2-[(3R)-3-[ethyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323054
N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
CID 95107830
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
CID 175313249
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
2,2,2-trifluoro-N-[(3R)-1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
CID 58335472

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate?
The IUPAC name of propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate (CID 71721711) is propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate?
The canonical SMILES for propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate is COc1ncccc1-c1cnc2ccc(N3CC[C@H](N(C)C(=O)OC(C)C)C3)nn12.
What is the InChIKey of propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate?
The InChIKey is FOKSAIBZRRENOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-14(2)30-21(28)25(3)15-9-11-26(13-15)19-8-7-18-23-12-17(27(18)24-19)16-6-5-10-22-20(16)29-4/h5-8,10,12,14-15H,9,11,13H2,1-4H3/t15-/m0/s1.
What are the key properties of propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate?
propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate has a molecular weight of 410.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3S)-1-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 71721711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).