5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine

C18H22N6O3S — CID 163302220

IUPAC5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
SMILESC=CS(=O)(=O)N1CCC[C@H](Oc2nc(-c3cnn(C)c3)cc3nccn23)CC1
InChIInChI=1S/C18H22N6O3S/c1-3-28(25,26)23-8-4-5-15(6-9-23)27-18-21-16(14-12-20-22(2)13-14)11-17-19-7-10-24(17)18/h3,7,10-13,15H,1,4-6,8-9H2,2H3/t15-/m0/s1
InChIKeyUNJYSMLRULUWAP-HNNXBMFYSA-N
MW402.48 g/mol
LogP1.84
Rot. Bonds5

About 5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine

5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine (PubChem CID 163302220) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
PubChem CID163302220
Molecular FormulaC18H22N6O3S
Molecular Weight402.48 g/mol
Exact Mass402.15
IUPAC Name5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
SMILESC=CS(=O)(=O)N1CCC[C@H](Oc2nc(-c3cnn(C)c3)cc3nccn23)CC1
InChIInChI=1S/C18H22N6O3S/c1-3-28(25,26)23-8-4-5-15(6-9-23)27-18-21-16(14-12-20-22(2)13-14)11-17-19-7-10-24(17)18/h3,7,10-13,15H,1,4-6,8-9H2,2H3/t15-/m0/s1
InChIKeyUNJYSMLRULUWAP-HNNXBMFYSA-N
XLogP1.84
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(4S)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxyazepan-1-yl]prop-2-en-1-one
CID 163301608
N-methyl-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-amine;hydrochloride
CID 163302339
N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid
CID 175743593
5-(1-but-3-ynylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
CID 71523168
(2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol
CID 90336488
5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
CID 71523363
1-[(4S)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]ethanone
CID 163302299
2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile
CID 123763551
1-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]prop-2-en-1-one
CID 167070902
4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine
CID 67397716
[(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142559
N,N-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110095318

Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine (CID 163302220) is 5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine is C=CS(=O)(=O)N1CCC[C@H](Oc2nc(-c3cnn(C)c3)cc3nccn23)CC1.
What is the InChIKey of 5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine?
The InChIKey is UNJYSMLRULUWAP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N6O3S/c1-3-28(25,26)23-8-4-5-15(6-9-23)27-18-21-16(14-12-20-22(2)13-14)11-17-19-7-10-24(17)18/h3,7,10-13,15H,1,4-6,8-9H2,2H3/t15-/m0/s1.
What are the key properties of 5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine?
5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine has a molecular weight of 402.48 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 163302220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).